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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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