1-(5-bromanyl-2-methyl-phenyl)sulfonyl-4-pyridin-1-ium-2-yl-piperazine

Systemtic Name: 1-(5-bromanyl-2-methyl-phenyl)sulfonyl-4-pyridin-1-ium-2-yl-piperazine Openeye Name: 1-(5-bromo-2-methyl-phenyl)sulfonyl-4-pyridin-1-ium-2-yl-piperazine CAS Name: 1-(5-bromo-2-methylphenyl)sulfonyl-4-(2-pyridin-1-iumyl)piperazine IUPAC Name: 1-(5-bromo-2-methylphenyl)sulfonyl-4-pyridin-1-ium-2-ylpiperazine Traditional Name: 1-(5-bromo-2-methyl-phenyl)sulfonyl-4-pyridin-1-ium-2-yl-piperazine Formula: C16H19BrN3O2S+ MolecularWeight: 397.30996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Br)S(=O)(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC1=C(C=C(C=C1)Br)S(=O)(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C16H18BrN3O2S/c1-13-5-6-14(17)12-15(13)23(21,22)20-10-8-19(9-11-20)16-4-2-3-7-18-16/h2-7,12H,8-11H2,1H3/p+1