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

Systemtic Name: 3-cyano-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-cyano-benzamide CAS Name: N-[1-(2-anilino-2-oxoethyl)-4-piperidin-1-iumyl]-3-cyanobenzamide IUPAC Name: N-[1-(2-anilino-2-oxoethyl)piperidin-1-ium-4-yl]-3-cyanobenzamide Traditional Name: N-[1-(2-anilino-2-keto-ethyl)piperidin-1-ium-4-yl]-3-cyano-benzamide Formula: C21H23N4O2+ MolecularWeight: 363.43292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O2/c22-14-16-5-4-6-17(13-16)21(27)24-19-9-11-25(12-10-19)15-20(26)23-18-7-2-1-3-8-18/h1-8,13,19H,9-12,15H2,(H,23,26)(H,24,27)/p+1