N-[1-[3-[(2-methyl-3-nitro-phenyl)amino]-3-oxidanylidene-propyl]piperidin-1-ium-4-yl]benzamide

Systemtic Name: N-[1-[3-[(2-methyl-3-nitro-phenyl)amino]-3-oxidanylidene-propyl]piperidin-1-ium-4-yl]benzamide Openeye Name: N-[1-[3-(2-methyl-3-nitro-anilino)-3-oxo-propyl]piperidin-1-ium-4-yl]benzamide CAS Name: N-[1-[3-(2-methyl-3-nitroanilino)-3-oxopropyl]-4-piperidin-1-iumyl]benzamide IUPAC Name: N-[1-[3-(2-methyl-3-nitroanilino)-3-oxopropyl]piperidin-1-ium-4-yl]benzamide Traditional Name: N-[1-[3-keto-3-(2-methyl-3-nitro-anilino)propyl]piperidin-1-ium-4-yl]benzamide Formula: C22H27N4O4+ MolecularWeight: 411.47418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CC[NH+]2CCC(CC2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CC[NH+]2CCC(CC2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H26N4O4/c1-16-19(8-5-9-20(16)26(29)30)24-21(27)12-15-25-13-10-18(11-14-25)23-22(28)17-6-3-2-4-7-17/h2-9,18H,10-15H2,1H3,(H,23,28)(H,24,27)/p+1