1-(4-bromanyl-3-methyl-phenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazin-4-ium

Systemtic Name: 1-(4-bromanyl-3-methyl-phenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazin-4-ium Openeye Name: 1-(4-bromo-3-methyl-phenyl)sulfonyl-4-(2-pyridylmethyl)piperazin-4-ium CAS Name: 1-(4-bromo-3-methylphenyl)sulfonyl-4-(2-pyridinylmethyl)piperazin-4-ium IUPAC Name: 1-(4-bromo-3-methylphenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazin-4-ium Traditional Name: 1-(4-bromo-3-methyl-phenyl)sulfonyl-4-(2-pyridylmethyl)piperazin-4-ium Formula: C17H21BrN3O2S+ MolecularWeight: 411.33654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=N3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=N3)Br

InChI

InChI=1S/C17H20BrN3O2S/c1-14-12-16(5-6-17(14)18)24(22,23)21-10-8-20(9-11-21)13-15-4-2-3-7-19-15/h2-7,12H,8-11,13H2,1H3/p+1