4-[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-N-(4-methylcyclohexyl)piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-N-(4-methylcyclohexyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-[2-(2,3-dimethylanilino)-2-oxo-ethyl]-N-(4-methylcyclohexyl)piperazin-4-ium-1-carboxamide CAS Name: 4-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(4-methylcyclohexyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(4-methylcyclohexyl)piperazin-4-ium-1-carboxamide Traditional Name: 4-[2-(2,3-dimethylanilino)-2-keto-ethyl]-N-(4-methylcyclohexyl)piperazin-4-ium-1-carboxamide Formula: C22H35N4O2+ MolecularWeight: 387.5389

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NC(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=CC(=C3C)C

Isomeric SMILES

CC1CCC(CC1)NC(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=CC(=C3C)C

InChI

InChI=1S/C22H34N4O2/c1-16-7-9-19(10-8-16)23-22(28)26-13-11-25(12-14-26)15-21(27)24-20-6-4-5-17(2)18(20)3/h4-6,16,19H,7-15H2,1-3H3,(H,23,28)(H,24,27)/p+1