1-(2-nitrophenyl)-N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-4-yl]piperidine-4-carboxamide

Systemtic Name: 1-(2-nitrophenyl)-N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-4-yl]piperidine-4-carboxamide Openeye Name: N-[1-(2-anilino-2-oxo-ethyl)piperidin-1-ium-4-yl]-1-(2-nitrophenyl)piperidine-4-carboxamide CAS Name: N-[1-(2-anilino-2-oxoethyl)-4-piperidin-1-iumyl]-1-(2-nitrophenyl)-4-piperidinecarboxamide IUPAC Name: N-[1-(2-anilino-2-oxoethyl)piperidin-1-ium-4-yl]-1-(2-nitrophenyl)piperidine-4-carboxamide Traditional Name: N-[1-(2-anilino-2-keto-ethyl)piperidin-1-ium-4-yl]-1-(2-nitrophenyl)isonipecotamide Formula: C25H32N5O4+ MolecularWeight: 466.55268

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-])CC(=O)NC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-])CC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C25H31N5O4/c31-24(26-20-6-2-1-3-7-20)18-28-14-12-21(13-15-28)27-25(32)19-10-16-29(17-11-19)22-8-4-5-9-23(22)30(33)34/h1-9,19,21H,10-18H2,(H,26,31)(H,27,32)/p+1