N-(1-cyanocyclohexyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-methyl-ethanamide

Systemtic Name: N-(1-cyanocyclohexyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-methyl-ethanamide Openeye Name: N-(1-cyanocyclohexyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-methyl-acetamide CAS Name: N-(1-cyanocyclohexyl)-2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]-N-methylacetamide IUPAC Name: N-(1-cyanocyclohexyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-methylacetamide Traditional Name: N-(1-cyanocyclohexyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-methyl-acetamide Formula: C22H33N4O+ MolecularWeight: 369.52362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N4O/c1-18-8-7-9-20(19(18)2)26-14-12-25(13-15-26)16-21(27)24(3)22(17-23)10-5-4-6-11-22/h7-9H,4-6,10-16H2,1-3H3/p+1