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

Systemtic Name: 4-methyl-N-[1-[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]benzamide Openeye Name: 4-methyl-N-[1-[2-(2-nitroanilino)-2-oxo-ethyl]piperidin-1-ium-4-yl]benzamide CAS Name: 4-methyl-N-[1-[2-(2-nitroanilino)-2-oxoethyl]-4-piperidin-1-iumyl]benzamide IUPAC Name: 4-methyl-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]-4-methyl-benzamide Formula: C21H25N4O4+ MolecularWeight: 397.4476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O4/c1-15-6-8-16(9-7-15)21(27)22-17-10-12-24(13-11-17)14-20(26)23-18-4-2-3-5-19(18)25(28)29/h2-9,17H,10-14H2,1H3,(H,22,27)(H,23,26)/p+1