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

Systemtic Name: [4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-(4-methylsulfonylphenyl)methanone Openeye Name: (4-methylsulfonylphenyl)-[4-(m-tolylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-(4-methylsulfonylphenyl)methanone IUPAC Name: [4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-(4-methylsulfonylphenyl)methanone Traditional Name: (4-mesylphenyl)-[4-(3-methylbenzyl)piperazin-4-ium-1-yl]methanone Formula: C20H25N2O3S+ MolecularWeight: 373.4891

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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)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O3S/c1-16-4-3-5-17(14-16)15-21-10-12-22(13-11-21)20(23)18-6-8-19(9-7-18)26(2,24)25/h3-9,14H,10-13,15H2,1-2H3/p+1