[(3R,5R)-5-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methyl-pyrrolidin-1-ium-3-yl] heptanoate chloride

Systemtic Name: [(3R,5R)-5-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methyl-pyrrolidin-1-ium-3-yl] heptanoate chloride Openeye Name: [(3R,5R)-5-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methyl-pyrrolidin-1-ium-3-yl] heptanoate chloride CAS Name: heptanoic acid [(3R,5R)-5-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methyl-3-pyrrolidin-1-iumyl] ester chloride IUPAC Name: [(3R,5R)-5-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidin-1-ium-3-yl] heptanoate chloride Traditional Name: enanthic acid [(3R,5R)-5-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methyl-pyrrolidin-1-ium-3-yl] ester chloride Formula: C29H42ClNO4 MolecularWeight: 504.10108

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)OC1CC([NH+](C1)C)CCOC2=CC=CC=C2CCC3=CC(=CC=C3)OC.[Cl-]

Isomeric SMILES

CCCCCCC(=O)O[C@@H]1C[C@H]([NH+](C1)C)CCOC2=CC=CC=C2CCC3=CC(=CC=C3)OC.[Cl-]

InChI

InChI=1S/C29H41NO4.ClH/c1-4-5-6-7-15-29(31)34-27-21-25(30(2)22-27)18-19-33-28-14-9-8-12-24(28)17-16-23-11-10-13-26(20-23)32-3;/h8-14,20,25,27H,4-7,15-19,21-22H2,1-3H3;1H/t25-,27-;/m1./s1