2-(2-methylquinolin-1-ium-1-yl)ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-(2-methylquinolin-1-ium-1-yl)ethyl 4-methylbenzenesulfonate Openeye Name: 2-(2-methylquinolin-1-ium-1-yl)ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-(2-methyl-1-quinolin-1-iumyl)ethyl ester IUPAC Name: 2-(2-methylquinolin-1-ium-1-yl)ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-(2-methylquinolin-1-ium-1-yl)ethyl ester Formula: C19H20NO3S+ MolecularWeight: 342.432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC[N+]2=C(C=CC3=CC=CC=C32)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC[N+]2=C(C=CC3=CC=CC=C32)C

InChI

InChI=1S/C19H20NO3S/c1-15-7-11-18(12-8-15)24(21,22)23-14-13-20-16(2)9-10-17-5-3-4-6-19(17)20/h3-12H,13-14H2,1-2H3/q+1