1-ethyl-2-[(E)-2-(1,2,3,3-tetramethyl-2H-indol-5-yl)ethenyl]quinolin-1-ium; 4-methylbenzenesulfonate

Systemtic Name: 1-ethyl-2-[(E)-2-(1,2,3,3-tetramethyl-2H-indol-5-yl)ethenyl]quinolin-1-ium; 4-methylbenzenesulfonate Openeye Name: 1-ethyl-2-[(E)-2-(1,2,3,3-tetramethylindolin-5-yl)vinyl]quinolin-1-ium; 4-methylbenzenesulfonate CAS Name: 1-ethyl-2-[(E)-2-(1,2,3,3-tetramethyl-2H-indol-5-yl)ethenyl]quinolin-1-ium; 4-methylbenzenesulfonate IUPAC Name: 1-ethyl-2-[(E)-2-(1,2,3,3-tetramethyl-2H-indol-5-yl)ethenyl]quinolin-1-ium; 4-methylbenzenesulfonate Traditional Name: 1-ethyl-2-[(E)-2-(1,2,3,3-tetramethylindolin-5-yl)vinyl]quinolin-1-ium tosylate Formula: C32H36N2O3S MolecularWeight: 528.70484

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(C=CC2=CC=CC=C21)C=CC3=CC4=C(C=C3)N(C(C4(C)C)C)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC[N+]1=C(C=CC2=CC=CC=C21)/C=C/C3=CC4=C(C=C3)N(C(C4(C)C)C)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C25H29N2.C7H8O3S/c1-6-27-21(15-13-20-9-7-8-10-23(20)27)14-11-19-12-16-24-22(17-19)25(3,4)18(2)26(24)5;1-6-2-4-7(5-3-6)11(8,9)10/h7-18H,6H2,1-5H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1