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

Systemtic Name: 4-methyl-N-[1-[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]benzamide Openeye Name: 4-methyl-N-[1-[2-(3-nitroanilino)-2-oxo-ethyl]piperidin-1-ium-4-yl]benzamide CAS Name: 4-methyl-N-[1-[2-(3-nitroanilino)-2-oxoethyl]-4-piperidin-1-iumyl]benzamide IUPAC Name: 4-methyl-N-[1-[2-(3-nitroanilino)-2-oxoethyl]piperidin-1-ium-4-yl]benzamide Traditional Name: N-[1-[2-keto-2-(3-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/c1-15-5-7-16(8-6-15)21(27)23-17-9-11-24(12-10-17)14-20(26)22-18-3-2-4-19(13-18)25(28)29/h2-8,13,17H,9-12,14H2,1H3,(H,22,26)(H,23,27)/p+1