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

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

Isomeric SMILES

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

InChI

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