N-[2-[(2S)-3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-methyl-2-oxidanyl-propoxy]-4-oxidanyl-phenyl]ethanamide; [(3R)-1-[2-oxidanylidene-2-(pyrazin-2-ylamino)ethyl]-1-azoniabicyclo[2.2.2]octan-3-yl] 1-phenylcycloheptane-1-carboxylate; bromide

Systemtic Name: N-[2-[(2S)-3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-methyl-2-oxidanyl-propoxy]-4-oxidanyl-phenyl]ethanamide; [(3R)-1-[2-oxidanylidene-2-(pyrazin-2-ylamino)ethyl]-1-azoniabicyclo[2.2.2]octan-3-yl] 1-phenylcycloheptane-1-carboxylate; bromide Openeye Name: N-[2-[(2S)-3-[[1-[(4-chlorophenyl)methyl]-4-piperidyl]amino]-2-hydroxy-2-methyl-propoxy]-4-hydroxy-phenyl]acetamide; [(3R)-1-[2-oxo-2-(pyrazin-2-ylamino)ethyl]quinuclidin-1-ium-3-yl] 1-phenylcycloheptanecarboxylate; bromide CAS Name: N-[2-[(2S)-3-[[1-[(4-chlorophenyl)methyl]-4-piperidinyl]amino]-2-hydroxy-2-methylpropoxy]-4-hydroxyphenyl]acetamide; 1-phenyl-1-cycloheptanecarboxylic acid [(3R)-1-[2-oxo-2-(2-pyrazinylamino)ethyl]-1-azoniabicyclo[2.2.2]octan-3-yl] ester; bromide IUPAC Name: N-[2-[(2S)-3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-hydroxy-2-methylpropoxy]-4-hydroxyphenyl]acetamide; [(3R)-1-[2-oxo-2-(pyrazin-2-ylamino)ethyl]-1-azoniabicyclo[2.2.2]octan-3-yl] 1-phenylcycloheptane-1-carboxylate; bromide Traditional Name: N-[2-[(2S)-3-[[1-(4-chlorobenzyl)-4-piperidyl]amino]-2-hydroxy-2-methyl-propoxy]-4-hydroxy-phenyl]acetamide; 1-phenylcycloheptanecarboxylic acid [(3R)-1-[2-keto-2-(pyrazin-2-ylamino)ethyl]quinuclidin-1-ium-3-yl] ester; bromide Formula: C51H67BrClN7O7 MolecularWeight: 1005.47738

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)O)OCC(C)(CNC2CCN(CC2)CC3=CC=C(C=C3)Cl)O.C1CCCC(CC1)(C2=CC=CC=C2)C(=O)OC3C[N+]4(CCC3CC4)CC(=O)NC5=NC=CN=C5.[Br-]

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)O)OC[C@](C)(CNC2CCN(CC2)CC3=CC=C(C=C3)Cl)O.C1CCCC(CC1)(C2=CC=CC=C2)C(=O)O[C@H]3C[N+]4(CCC3CC4)CC(=O)NC5=NC=CN=C5.[Br-]

InChI

InChI=1S/C27H34N4O3.C24H32ClN3O4.BrH/c32-25(30-24-18-28-14-15-29-24)20-31-16-10-21(11-17-31)23(19-31)34-26(33)27(12-6-1-2-7-13-27)22-8-4-3-5-9-22;1-17(29)27-22-8-7-21(30)13-23(22)32-16-24(2,31)15-26-20-9-11-28(12-10-20)14-18-3-5-19(25)6-4-18;/h3-5,8-9,14-15,18,21,23H,1-2,6-7,10-13,16-17,19-20H2;3-8,13,20,26,30-31H,9-12,14-16H2,1-2H3,(H,27,29);1H/t21?,23-,31?;24-;/m00./s1