2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-(1-cyanocyclohexyl)-N-methyl-ethanamide

Systemtic Name: 2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-(1-cyanocyclohexyl)-N-methyl-ethanamide Openeye Name: 2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-(1-cyanocyclohexyl)-N-methyl-acetamide CAS Name: 2-[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]-N-(1-cyanocyclohexyl)-N-methylacetamide IUPAC Name: 2-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]-N-(1-cyanocyclohexyl)-N-methylacetamide Traditional Name: 2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-(1-cyanocyclohexyl)-N-methyl-acetamide Formula: C21H30ClN4O+ MolecularWeight: 389.9421

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CC(=O)N(C)C3(CCCCC3)C#N

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CC(=O)N(C)C3(CCCCC3)C#N

InChI

InChI=1S/C21H29ClN4O/c1-17-6-7-18(22)14-19(17)26-12-10-25(11-13-26)15-20(27)24(2)21(16-23)8-4-3-5-9-21/h6-7,14H,3-5,8-13,15H2,1-2H3/p+1