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

Systemtic Name: 3-methyl-4-nitro-N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-4-yl]benzamide Openeye Name: N-[1-(2-anilino-2-oxo-ethyl)piperidin-1-ium-4-yl]-3-methyl-4-nitro-benzamide CAS Name: N-[1-(2-anilino-2-oxoethyl)-4-piperidin-1-iumyl]-3-methyl-4-nitrobenzamide IUPAC Name: N-[1-(2-anilino-2-oxoethyl)piperidin-1-ium-4-yl]-3-methyl-4-nitrobenzamide Traditional Name: N-[1-(2-anilino-2-keto-ethyl)piperidin-1-ium-4-yl]-3-methyl-4-nitro-benzamide Formula: C21H25N4O4+ MolecularWeight: 397.4476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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