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

Systemtic Name: 1-(3-bromophenyl)sulfonyl-4-[(3-methylphenyl)methyl]piperazin-4-ium Openeye Name: 1-(3-bromophenyl)sulfonyl-4-(m-tolylmethyl)piperazin-4-ium CAS Name: 1-(3-bromophenyl)sulfonyl-4-[(3-methylphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(3-bromophenyl)sulfonyl-4-[(3-methylphenyl)methyl]piperazin-4-ium Traditional Name: 1-(3-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=C3)Br

Isomeric SMILES

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

InChI

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