N-[1-[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]benzamide

Systemtic Name: N-[1-[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]benzamide Openeye Name: N-[1-[2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl]piperidin-1-ium-4-yl]benzamide CAS Name: N-[1-[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]-4-piperidin-1-iumyl]benzamide IUPAC Name: N-[1-[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]piperidin-1-ium-4-yl]benzamide Traditional Name: N-[1-[2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl]piperidin-1-ium-4-yl]benzamide Formula: C21H29N4O2+ MolecularWeight: 369.48056

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)NC(=O)C[NH+]2CCC(CC2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)C[NH+]2CCC(CC2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H28N4O2/c22-16-21(11-5-2-6-12-21)24-19(26)15-25-13-9-18(10-14-25)23-20(27)17-7-3-1-4-8-17/h1,3-4,7-8,18H,2,5-6,9-15H2,(H,23,27)(H,24,26)/p+1