3-bromanyl-1-methyl-quinolin-1-ium; (3,5-dimethylphenyl)methanesulfonate

Systemtic Name: 3-bromanyl-1-methyl-quinolin-1-ium; (3,5-dimethylphenyl)methanesulfonate Openeye Name: 3-bromo-1-methyl-quinolin-1-ium; (3,5-dimethylphenyl)methanesulfonate CAS Name: 3-bromo-1-methylquinolin-1-ium; (3,5-dimethylphenyl)methanesulfonate IUPAC Name: 3-bromo-1-methylquinolin-1-ium; (3,5-dimethylphenyl)methanesulfonate Traditional Name: 3-bromo-1-methyl-quinolin-1-ium; (3,5-dimethylphenyl)methanesulfonate Formula: C19H20BrNO3S MolecularWeight: 422.336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CS(=O)(=O)[O-])C.C[N+]1=CC(=CC2=CC=CC=C21)Br

Isomeric SMILES

CC1=CC(=CC(=C1)CS(=O)(=O)[O-])C.C[N+]1=CC(=CC2=CC=CC=C21)Br

InChI

InChI=1S/C10H9BrN.C9H12O3S/c1-12-7-9(11)6-8-4-2-3-5-10(8)12;1-7-3-8(2)5-9(4-7)6-13(10,11)12/h2-7H,1H3;3-5H,6H2,1-2H3,(H,10,11,12)/q+1;/p-1