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

Systemtic Name: [4-methoxy-3-[(2R)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propoxy]phenyl]methyl-(2-phenoxyethyl)azanium Openeye Name: [3-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-4-methoxy-phenyl]methyl-(2-phenoxyethyl)ammonium CAS Name: [3-[(2R)-2-hydroxy-3-(1-pyrrolidin-1-iumyl)propoxy]-4-methoxyphenyl]methyl-(2-phenoxyethyl)ammonium IUPAC Name: [3-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropoxy]-4-methoxyphenyl]methyl-(2-phenoxyethyl)azanium Traditional Name: [3-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-4-methoxy-benzyl]-(2-phenoxyethyl)ammonium Formula: C23H34N2O4+2 MolecularWeight: 402.52706

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH2+]CCOC2=CC=CC=C2)OCC(C[NH+]3CCCC3)O

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH2+]CCOC2=CC=CC=C2)OC[C@@H](C[NH+]3CCCC3)O

InChI

InChI=1S/C23H32N2O4/c1-27-22-10-9-19(16-24-11-14-28-21-7-3-2-4-8-21)15-23(22)29-18-20(26)17-25-12-5-6-13-25/h2-4,7-10,15,20,24,26H,5-6,11-14,16-18H2,1H3/p+2/t20-/m1/s1