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

Systemtic Name: 3-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 3-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]sulfonylbenzonitrile CAS Name: 3-[[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]sulfonyl]benzonitrile IUPAC Name: 3-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile Traditional Name: 3-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]sulfonylbenzonitrile Formula: C19H22N3O2S+ MolecularWeight: 356.46188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O2S/c1-16-5-2-3-7-18(16)15-21-9-11-22(12-10-21)25(23,24)19-8-4-6-17(13-19)14-20/h2-8,13H,9-12,15H2,1H3/p+1