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

Systemtic Name: N-(1-cyanocyclohexyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(1-cyanocyclohexyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(1-cyanocyclohexyl)-2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(1-cyanocyclohexyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(1-cyanocyclohexyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetamide Formula: C21H31N4O+ MolecularWeight: 355.49704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC(=O)NC3(CCCCC3)C#N)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC(=O)NC3(CCCCC3)C#N)C

InChI

InChI=1S/C21H30N4O/c1-17-7-6-8-19(18(17)2)25-13-11-24(12-14-25)15-20(26)23-21(16-22)9-4-3-5-10-21/h6-8H,3-5,9-15H2,1-2H3,(H,23,26)/p+1