6,8-bis(bromanyl)-3-(4-methylphenyl)sulfonyl-quinolin-1-ium-2-amine

Systemtic Name: 6,8-bis(bromanyl)-3-(4-methylphenyl)sulfonyl-quinolin-1-ium-2-amine Openeye Name: 6,8-dibromo-3-(p-tolylsulfonyl)quinolin-1-ium-2-amine CAS Name: 6,8-dibromo-3-(4-methylphenyl)sulfonyl-2-quinolin-1-iumamine IUPAC Name: 6,8-dibromo-3-(4-methylphenyl)sulfonylquinolin-1-ium-2-amine Traditional Name: (6,8-dibromo-3-tosyl-quinolin-1-ium-2-yl)amine Formula: C16H13Br2N2O2S+ MolecularWeight: 457.15962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C([NH+]=C3C(=C2)C=C(C=C3Br)Br)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C([NH+]=C3C(=C2)C=C(C=C3Br)Br)N

InChI

InChI=1S/C16H12Br2N2O2S/c1-9-2-4-12(5-3-9)23(21,22)14-7-10-6-11(17)8-13(18)15(10)20-16(14)19/h2-8H,1H3,(H2,19,20)/p+1