1-(4-chlorophenyl)carbonyl-N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]piperidine-4-carboxamide

Systemtic Name: 1-(4-chlorophenyl)carbonyl-N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]piperidine-4-carboxamide Openeye Name: 1-(4-chlorobenzoyl)-N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]piperidine-4-carboxamide CAS Name: 1-[(4-chlorophenyl)-oxomethyl]-N-[(2R)-2-(3-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-4-piperidinecarboxamide IUPAC Name: 1-(4-chlorobenzoyl)-N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]piperidine-4-carboxamide Traditional Name: 1-(4-chlorobenzoyl)-N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]isonipecotamide Formula: C26H33ClN3O3+ MolecularWeight: 471.01152

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(CNC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl)[NH+]4CCCC4

Isomeric SMILES

COC1=CC=CC(=C1)[C@H](CNC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl)[NH+]4CCCC4

InChI

InChI=1S/C26H32ClN3O3/c1-33-23-6-4-5-21(17-23)24(29-13-2-3-14-29)18-28-25(31)19-11-15-30(16-12-19)26(32)20-7-9-22(27)10-8-20/h4-10,17,19,24H,2-3,11-16,18H2,1H3,(H,28,31)/p+1/t24-/m0/s1