N-(1-cyanocycloheptyl)-2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC[NH+](CC2)CC(=O)NC3(CCCCCC3)C#N

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[NH+](CC2)CC(=O)NC3(CCCCCC3)C#N

InChI

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