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

Systemtic Name: 4-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]carbonylbenzenecarbonitrile Openeye Name: 4-[4-(m-tolylmethyl)piperazin-4-ium-1-carbonyl]benzonitrile CAS Name: 4-[[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]benzonitrile IUPAC Name: 4-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-carbonyl]benzonitrile Traditional Name: 4-[4-(3-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=C1)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)C#N

InChI

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