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

Systemtic Name: 4-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]-N-(4-methylcyclohexyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-[2-(2-ethylanilino)-2-oxo-ethyl]-N-(4-methylcyclohexyl)piperazin-4-ium-1-carboxamide CAS Name: 4-[2-(2-ethylanilino)-2-oxoethyl]-N-(4-methylcyclohexyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[2-(2-ethylanilino)-2-oxoethyl]-N-(4-methylcyclohexyl)piperazin-4-ium-1-carboxamide Traditional Name: 4-[2-(2-ethylanilino)-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:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)NC3CCC(CC3)C

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)NC3CCC(CC3)C

InChI

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