ethyl-[[4-methoxy-2-[(2R)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propoxy]phenyl]methyl]-[(1-methylpyrazol-4-yl)methyl]azanium

Systemtic Name: ethyl-[[4-methoxy-2-[(2R)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propoxy]phenyl]methyl]-[(1-methylpyrazol-4-yl)methyl]azanium Openeye Name: ethyl-[[2-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-4-methoxy-phenyl]methyl]-[(1-methylpyrazol-4-yl)methyl]ammonium CAS Name: ethyl-[[2-[(2R)-2-hydroxy-3-(1-pyrrolidin-1-iumyl)propoxy]-4-methoxyphenyl]methyl]-[(1-methyl-4-pyrazolyl)methyl]ammonium IUPAC Name: ethyl-[[2-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropoxy]-4-methoxyphenyl]methyl]-[(1-methylpyrazol-4-yl)methyl]azanium Traditional Name: ethyl-[2-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-4-methoxy-benzyl]-[(1-methylpyrazol-4-yl)methyl]ammonium Formula: C22H36N4O3+2 MolecularWeight: 404.54624

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=C(C=C(C=C1)OC)OCC(C[NH+]2CCCC2)O)CC3=CN(N=C3)C

Isomeric SMILES

CC[NH+](CC1=C(C=C(C=C1)OC)OC[C@@H](C[NH+]2CCCC2)O)CC3=CN(N=C3)C

InChI

InChI=1S/C22H34N4O3/c1-4-25(14-18-12-23-24(2)13-18)15-19-7-8-21(28-3)11-22(19)29-17-20(27)16-26-9-5-6-10-26/h7-8,11-13,20,27H,4-6,9-10,14-17H2,1-3H3/p+2/t20-/m1/s1