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

Systemtic Name: 2-chloranyl-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]-2-chloro-4-nitro-benzamide CAS Name: N-[1-(2-anilino-2-oxoethyl)-4-piperidin-1-iumyl]-2-chloro-4-nitrobenzamide IUPAC Name: N-[1-(2-anilino-2-oxoethyl)piperidin-1-ium-4-yl]-2-chloro-4-nitrobenzamide Traditional Name: N-[1-(2-anilino-2-keto-ethyl)piperidin-1-ium-4-yl]-2-chloro-4-nitro-benzamide Formula: C20H22ClN4O4+ MolecularWeight: 417.86608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN4O4/c21-18-12-16(25(28)29)6-7-17(18)20(27)23-15-8-10-24(11-9-15)13-19(26)22-14-4-2-1-3-5-14/h1-7,12,15H,8-11,13H2,(H,22,26)(H,23,27)/p+1