4-methylbenzenesulfonate; 1-methylnaphtho[2,3-g]quinolin-1-ium

Systemtic Name: 4-methylbenzenesulfonate; 1-methylnaphtho[2,3-g]quinolin-1-ium Openeye Name: 4-methylbenzenesulfonate; 1-methylnaphtho[2,3-g]quinolin-1-ium CAS Name: 4-methylbenzenesulfonate; 1-methylnaphtho[2,3-g]quinolin-1-ium IUPAC Name: 4-methylbenzenesulfonate; 1-methylnaphtho[2,3-g]quinolin-1-ium Traditional Name: 1-methylnaphtho[2,3-g]quinolin-1-ium tosylate Formula: C25H21NO3S MolecularWeight: 415.50414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=CC2=CC3=CC4=CC=CC=C4C=C3C=C21

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=CC2=CC3=CC4=CC=CC=C4C=C3C=C21

InChI

InChI=1S/C18H14N.C7H8O3S/c1-19-8-4-7-15-11-16-9-13-5-2-3-6-14(13)10-17(16)12-18(15)19;1-6-2-4-7(5-3-6)11(8,9)10/h2-12H,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1