N,N-diethyl-4-[(1-ethylquinolin-1-ium-2-yl)methylideneamino]aniline; 4-methylbenzenesulfonate

Systemtic Name: N,N-diethyl-4-[(1-ethylquinolin-1-ium-2-yl)methylideneamino]aniline; 4-methylbenzenesulfonate Openeye Name: N,N-diethyl-4-[(1-ethylquinolin-1-ium-2-yl)methyleneamino]aniline; 4-methylbenzenesulfonate CAS Name: N,N-diethyl-4-[(1-ethyl-2-quinolin-1-iumyl)methylideneamino]aniline; 4-methylbenzenesulfonate IUPAC Name: N,N-diethyl-4-[(1-ethylquinolin-1-ium-2-yl)methylideneamino]aniline; 4-methylbenzenesulfonate Traditional Name: diethyl-[4-[(1-ethylquinolin-1-ium-2-yl)methyleneamino]phenyl]amine tosylate Formula: C29H33N3O3S MolecularWeight: 503.65562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(C=CC2=CC=CC=C21)C=NC3=CC=C(C=C3)N(CC)CC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC[N+]1=C(C=CC2=CC=CC=C21)C=NC3=CC=C(C=C3)N(CC)CC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C22H26N3.C7H8O3S/c1-4-24(5-2)20-15-12-19(13-16-20)23-17-21-14-11-18-9-7-8-10-22(18)25(21)6-3;1-6-2-4-7(5-3-6)11(8,9)10/h7-17H,4-6H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1