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

Systemtic Name: 2-[4-[(2-cyanophenyl)methyl]piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)ethanamide Openeye Name: 2-[4-[(2-cyanophenyl)methyl]piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)acetamide CAS Name: 2-[4-[(2-cyanophenyl)methyl]-1-piperazin-1-iumyl]-N-(2,3-dimethylphenyl)acetamide IUPAC Name: 2-[4-[(2-cyanophenyl)methyl]piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)acetamide Traditional Name: 2-[4-(2-cyanobenzyl)piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)acetamide Formula: C22H27N4O+ MolecularWeight: 363.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)CC3=CC=CC=C3C#N)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)CC3=CC=CC=C3C#N)C

InChI

InChI=1S/C22H26N4O/c1-17-6-5-9-21(18(17)2)24-22(27)16-26-12-10-25(11-13-26)15-20-8-4-3-7-19(20)14-23/h3-9H,10-13,15-16H2,1-2H3,(H,24,27)/p+1