4-methylbenzenesulfonate; 4-methyl-1H-quinolin-1-ium-4-carbaldehyde

Systemtic Name: 4-methylbenzenesulfonate; 4-methyl-1H-quinolin-1-ium-4-carbaldehyde Openeye Name: 4-methylbenzenesulfonate; 4-methyl-1H-quinolin-1-ium-4-carbaldehyde CAS Name: 4-methylbenzenesulfonate; 4-methyl-1H-quinolin-1-ium-4-carboxaldehyde IUPAC Name: 4-methylbenzenesulfonate; 4-methyl-1H-quinolin-1-ium-4-carbaldehyde Traditional Name: 4-methyl-1H-quinolin-1-ium-4-carbaldehyde tosylate Formula: C18H19NO4S MolecularWeight: 345.41276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1(C=C[NH2+]C2=CC=CC=C21)C=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1(C=C[NH2+]C2=CC=CC=C21)C=O

InChI

InChI=1S/C11H11NO.C7H8O3S/c1-11(8-13)6-7-12-10-5-3-2-4-9(10)11;1-6-2-4-7(5-3-6)11(8,9)10/h2-8,12H,1H3;2-5H,1H3,(H,8,9,10)