3-methoxy-N-[1-[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]benzamide

Systemtic Name: 3-methoxy-N-[1-[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]benzamide Openeye Name: 3-methoxy-N-[1-[2-(2-nitroanilino)-2-oxo-ethyl]piperidin-1-ium-4-yl]benzamide CAS Name: 3-methoxy-N-[1-[2-(2-nitroanilino)-2-oxoethyl]-4-piperidin-1-iumyl]benzamide IUPAC Name: 3-methoxy-N-[1-[2-(2-nitroanilino)-2-oxoethyl]piperidin-1-ium-4-yl]benzamide Traditional Name: N-[1-[2-keto-2-(2-nitroanilino)ethyl]piperidin-1-ium-4-yl]-3-methoxy-benzamide Formula: C21H25N4O5+ MolecularWeight: 413.447

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)NC2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)NC2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O5/c1-30-17-6-4-5-15(13-17)21(27)22-16-9-11-24(12-10-16)14-20(26)23-18-7-2-3-8-19(18)25(28)29/h2-8,13,16H,9-12,14H2,1H3,(H,22,27)(H,23,26)/p+1