1-(2-nitrophenyl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide

Systemtic Name: 1-(2-nitrophenyl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide Openeye Name: 1-(2-nitrophenyl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide CAS Name: 1-(2-nitrophenyl)-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-(2-nitrophenyl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide Traditional Name: 1-(2-nitrophenyl)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]isonipecotamide Formula: C24H31N4O3+ MolecularWeight: 423.52794

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)C3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)C3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C24H30N4O3/c29-24(25-17-19-7-9-20(10-8-19)18-26-13-3-4-14-26)21-11-15-27(16-12-21)22-5-1-2-6-23(22)28(30)31/h1-2,5-10,21H,3-4,11-18H2,(H,25,29)/p+1