1-(1,3-dihydrobenzimidazol-2-ylidene)-N-(2,3-dimethylcyclohexyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-(1,3-dihydrobenzimidazol-2-ylidene)-N-(2,3-dimethylcyclohexyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-(1,3-dihydrobenzimidazol-2-ylidene)-N-(2,3-dimethylcyclohexyl)piperidin-1-ium-4-carboxamide CAS Name: 1-(1,3-dihydrobenzimidazol-2-ylidene)-N-(2,3-dimethylcyclohexyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-(1,3-dihydrobenzimidazol-2-ylidene)-N-(2,3-dimethylcyclohexyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-(1,3-dihydrobenzimidazol-2-ylidene)-N-(2,3-dimethylcyclohexyl)piperidin-1-ium-4-carboxamide Formula: C21H31N4O+ MolecularWeight: 355.49704

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)C2CC[N+](=C3NC4=CC=CC=C4N3)CC2

Isomeric SMILES

CC1CCCC(C1C)NC(=O)C2CC[N+](=C3NC4=CC=CC=C4N3)CC2

InChI

InChI=1S/C21H30N4O/c1-14-6-5-9-17(15(14)2)22-20(26)16-10-12-25(13-11-16)21-23-18-7-3-4-8-19(18)24-21/h3-4,7-8,14-17H,5-6,9-13H2,1-2H3,(H2,22,23,24,26)/p+1