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

Systemtic Name: 2-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]-2-nitro-benzamide CAS Name: N-[1-(2-anilino-2-oxoethyl)-4-piperidin-1-iumyl]-2-nitrobenzamide IUPAC Name: N-[1-(2-anilino-2-oxoethyl)piperidin-1-ium-4-yl]-2-nitrobenzamide Traditional Name: N-[1-(2-anilino-2-keto-ethyl)piperidin-1-ium-4-yl]-2-nitro-benzamide Formula: C20H23N4O4+ MolecularWeight: 383.42102

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2=CC=CC=C2[N+](=O)[O-])CC(=O)NC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2=CC=CC=C2[N+](=O)[O-])CC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C20H22N4O4/c25-19(21-15-6-2-1-3-7-15)14-23-12-10-16(11-13-23)22-20(26)17-8-4-5-9-18(17)24(27)28/h1-9,16H,10-14H2,(H,21,25)(H,22,26)/p+1