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

Systemtic Name: [4-methoxy-2-[(2S)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propoxy]phenyl]methyl-methyl-[2-(oxan-4-yl)ethyl]azanium Openeye Name: [2-[(2S)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-4-methoxy-phenyl]methyl-methyl-(2-tetrahydropyran-4-ylethyl)ammonium CAS Name: [2-[(2S)-2-hydroxy-3-(1-pyrrolidin-1-iumyl)propoxy]-4-methoxyphenyl]methyl-methyl-[2-(4-oxanyl)ethyl]ammonium IUPAC Name: [2-[(2S)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropoxy]-4-methoxyphenyl]methyl-methyl-[2-(oxan-4-yl)ethyl]azanium Traditional Name: [2-[(2S)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-4-methoxy-benzyl]-methyl-(2-tetrahydropyran-4-ylethyl)ammonium Formula: C23H40N2O4+2 MolecularWeight: 408.5747

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1CCOCC1)CC2=C(C=C(C=C2)OC)OCC(C[NH+]3CCCC3)O

Isomeric SMILES

C[NH+](CCC1CCOCC1)CC2=C(C=C(C=C2)OC)OC[C@H](C[NH+]3CCCC3)O

InChI

InChI=1S/C23H38N2O4/c1-24(12-7-19-8-13-28-14-9-19)16-20-5-6-22(27-2)15-23(20)29-18-21(26)17-25-10-3-4-11-25/h5-6,15,19,21,26H,3-4,7-14,16-18H2,1-2H3/p+2/t21-/m0/s1