2,4-dimethylbenzenesulfonate; 4-methoxy-1-methyl-quinolin-1-ium

Systemtic Name: 2,4-dimethylbenzenesulfonate; 4-methoxy-1-methyl-quinolin-1-ium Openeye Name: 2,4-dimethylbenzenesulfonate; 4-methoxy-1-methyl-quinolin-1-ium CAS Name: 2,4-dimethylbenzenesulfonate; 4-methoxy-1-methylquinolin-1-ium IUPAC Name: 2,4-dimethylbenzenesulfonate; 4-methoxy-1-methylquinolin-1-ium Traditional Name: 2,4-dimethylbesylate; 4-methoxy-1-methyl-quinolin-1-ium Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)[O-])C.C[N+]1=CC=C(C2=CC=CC=C21)OC

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)[O-])C.C[N+]1=CC=C(C2=CC=CC=C21)OC

InChI

InChI=1S/C11H12NO.C8H10O3S/c1-12-8-7-11(13-2)9-5-3-4-6-10(9)12;1-6-3-4-8(7(2)5-6)12(9,10)11/h3-8H,1-2H3;3-5H,1-2H3,(H,9,10,11)/q+1;/p-1