N-[1-[2-(diphenylamino)-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]-4-nitro-benzamide

Systemtic Name: N-[1-[2-(diphenylamino)-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]-4-nitro-benzamide Openeye Name: 4-nitro-N-[1-[2-oxo-2-(N-phenylanilino)ethyl]piperidin-1-ium-4-yl]benzamide CAS Name: 4-nitro-N-[1-[2-oxo-2-(N-phenylanilino)ethyl]-4-piperidin-1-iumyl]benzamide IUPAC Name: 4-nitro-N-[1-[2-oxo-2-(N-phenylanilino)ethyl]piperidin-1-ium-4-yl]benzamide Traditional Name: N-[1-[2-keto-2-(N-phenylanilino)ethyl]piperidin-1-ium-4-yl]-4-nitro-benzamide Formula: C26H27N4O4+ MolecularWeight: 459.51698

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])CC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])CC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H26N4O4/c31-25(29(22-7-3-1-4-8-22)23-9-5-2-6-10-23)19-28-17-15-21(16-18-28)27-26(32)20-11-13-24(14-12-20)30(33)34/h1-14,21H,15-19H2,(H,27,32)/p+1