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

Systemtic Name: 1-(4-chlorophenyl)carbonyl-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]piperidine-4-carboxamide Openeye Name: 1-(4-chlorobenzoyl)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]piperidine-4-carboxamide CAS Name: 1-[(4-chlorophenyl)-oxomethyl]-N-[(2R)-2-(2-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-4-piperidinecarboxamide IUPAC Name: 1-(4-chlorobenzoyl)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]piperidine-4-carboxamide Traditional Name: 1-(4-chlorobenzoyl)-N-[(2R)-2-(2-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=C1C(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/c1-33-24-7-3-2-6-22(24)23(29-14-4-5-15-29)18-28-25(31)19-12-16-30(17-13-19)26(32)20-8-10-21(27)11-9-20/h2-3,6-11,19,23H,4-5,12-18H2,1H3,(H,28,31)/p+1/t23-/m0/s1