1-(2-bromophenyl)sulfonyl-4-[(3-methylphenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(2-bromophenyl)sulfonyl-4-[(3-methylphenyl)methyl]piperazin-4-ium Openeye Name: 1-(2-bromophenyl)sulfonyl-4-(m-tolylmethyl)piperazin-4-ium CAS Name: 1-(2-bromophenyl)sulfonyl-4-[(3-methylphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(2-bromophenyl)sulfonyl-4-[(3-methylphenyl)methyl]piperazin-4-ium Traditional Name: 1-(2-bromophenyl)sulfonyl-4-(3-methylbenzyl)piperazin-4-ium Formula: C18H22BrN2O2S+ MolecularWeight: 410.34848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3Br

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C18H21BrN2O2S/c1-15-5-4-6-16(13-15)14-20-9-11-21(12-10-20)24(22,23)18-8-3-2-7-17(18)19/h2-8,13H,9-12,14H2,1H3/p+1