3-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 3-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[4-(o-tolylmethyl)piperazin-4-ium-1-carbonyl]benzonitrile CAS Name: 3-[[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]benzonitrile IUPAC Name: 3-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-carbonyl]benzonitrile Traditional Name: 3-[4-(2-methylbenzyl)piperazin-4-ium-1-carbonyl]benzonitrile Formula: C20H22N3O+ MolecularWeight: 320.40818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H21N3O/c1-16-5-2-3-7-19(16)15-22-9-11-23(12-10-22)20(24)18-8-4-6-17(13-18)14-21/h2-8,13H,9-12,15H2,1H3/p+1