1-[(2-bromophenyl)methyl]-4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium

Systemtic Name: 1-[(2-bromophenyl)methyl]-4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium Openeye Name: 1-[(2-bromophenyl)methyl]-4-(p-tolylsulfonyl)-1,4-diazepan-1-ium CAS Name: 1-[(2-bromophenyl)methyl]-4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium IUPAC Name: 1-[(2-bromophenyl)methyl]-4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium Traditional Name: 1-(2-bromobenzyl)-4-tosyl-1,4-diazepan-1-ium Formula: C19H24BrN2O2S+ MolecularWeight: 424.37506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[NH+](CC2)CC3=CC=CC=C3Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[NH+](CC2)CC3=CC=CC=C3Br

InChI

InChI=1S/C19H23BrN2O2S/c1-16-7-9-18(10-8-16)25(23,24)22-12-4-11-21(13-14-22)15-17-5-2-3-6-19(17)20/h2-3,5-10H,4,11-15H2,1H3/p+1