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

Systemtic Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1-(2-nitrophenyl)piperidine-4-carboxamide Openeye Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1-(2-nitrophenyl)piperidine-4-carboxamide CAS Name: N-[(2R)-2-(2-chlorophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-1-(2-nitrophenyl)-4-piperidinecarboxamide IUPAC Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-ylethyl]-1-(2-nitrophenyl)piperidine-4-carboxamide Traditional Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1-(2-nitrophenyl)isonipecotamide Formula: C24H30ClN4O3+ MolecularWeight: 457.973

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-])C4=CC=CC=C4Cl

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-])C4=CC=CC=C4Cl

InChI

InChI=1S/C24H29ClN4O3/c25-20-8-2-1-7-19(20)23(27-13-5-6-14-27)17-26-24(30)18-11-15-28(16-12-18)21-9-3-4-10-22(21)29(31)32/h1-4,7-10,18,23H,5-6,11-17H2,(H,26,30)/p+1/t23-/m0/s1