(3,5-dimethylphenyl)methanesulfonate; 1,2-dimethylquinolin-1-ium

Systemtic Name: (3,5-dimethylphenyl)methanesulfonate; 1,2-dimethylquinolin-1-ium Openeye Name: (3,5-dimethylphenyl)methanesulfonate; 1,2-dimethylquinolin-1-ium CAS Name: (3,5-dimethylphenyl)methanesulfonate; 1,2-dimethylquinolin-1-ium IUPAC Name: (3,5-dimethylphenyl)methanesulfonate; 1,2-dimethylquinolin-1-ium Traditional Name: (3,5-dimethylphenyl)methanesulfonate; 1,2-dimethylquinolin-1-ium Formula: C20H23NO3S MolecularWeight: 357.46652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2C=C1)C.CC1=CC(=CC(=C1)CS(=O)(=O)[O-])C

Isomeric SMILES

CC1=[N+](C2=CC=CC=C2C=C1)C.CC1=CC(=CC(=C1)CS(=O)(=O)[O-])C

InChI

InChI=1S/C11H12N.C9H12O3S/c1-9-7-8-10-5-3-4-6-11(10)12(9)2;1-7-3-8(2)5-9(4-7)6-13(10,11)12/h3-8H,1-2H3;3-5H,6H2,1-2H3,(H,10,11,12)/q+1;/p-1