N-[(4-chlorophenyl)carbamoyl]-1-(3-nitropyridin-1-ium-2-yl)piperidine-4-carboxamide

Systemtic Name: N-[(4-chlorophenyl)carbamoyl]-1-(3-nitropyridin-1-ium-2-yl)piperidine-4-carboxamide Openeye Name: N-[(4-chlorophenyl)carbamoyl]-1-(3-nitropyridin-1-ium-2-yl)piperidine-4-carboxamide CAS Name: N-[(4-chloroanilino)-oxomethyl]-1-(3-nitro-2-pyridin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: N-[(4-chlorophenyl)carbamoyl]-1-(3-nitropyridin-1-ium-2-yl)piperidine-4-carboxamide Traditional Name: N-[(4-chlorophenyl)carbamoyl]-1-(3-nitropyridin-1-ium-2-yl)isonipecotamide Formula: C18H19ClN5O4+ MolecularWeight: 404.82756

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC(=O)NC2=CC=C(C=C2)Cl)C3=C(C=CC=[NH+]3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)NC(=O)NC2=CC=C(C=C2)Cl)C3=C(C=CC=[NH+]3)[N+](=O)[O-]

InChI

InChI=1S/C18H18ClN5O4/c19-13-3-5-14(6-4-13)21-18(26)22-17(25)12-7-10-23(11-8-12)16-15(24(27)28)2-1-9-20-16/h1-6,9,12H,7-8,10-11H2,(H2,21,22,25,26)/p+1