1-(4-chlorophenyl)-3-(1-ethylpyridin-1-ium-3-yl)benzo[f]quinoline; 4-methylbenzenesulfonate

Systemtic Name: 1-(4-chlorophenyl)-3-(1-ethylpyridin-1-ium-3-yl)benzo[f]quinoline; 4-methylbenzenesulfonate Openeye Name: 1-(4-chlorophenyl)-3-(1-ethylpyridin-1-ium-3-yl)benzo[f]quinoline; 4-methylbenzenesulfonate CAS Name: 1-(4-chlorophenyl)-3-(1-ethyl-3-pyridin-1-iumyl)benzo[f]quinoline; 4-methylbenzenesulfonate IUPAC Name: 1-(4-chlorophenyl)-3-(1-ethylpyridin-1-ium-3-yl)benzo[f]quinoline; 4-methylbenzenesulfonate Traditional Name: 1-(4-chlorophenyl)-3-(1-ethylpyridin-1-ium-3-yl)benzo[f]quinoline tosylate Formula: C33H27ClN2O3S MolecularWeight: 567.09708

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC=CC(=C1)C2=NC3=C(C4=CC=CC=C4C=C3)C(=C2)C5=CC=C(C=C5)Cl.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC[N+]1=CC=CC(=C1)C2=NC3=C(C4=CC=CC=C4C=C3)C(=C2)C5=CC=C(C=C5)Cl.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C26H20ClN2.C7H8O3S/c1-2-29-15-5-7-20(17-29)25-16-23(19-9-12-21(27)13-10-19)26-22-8-4-3-6-18(22)11-14-24(26)28-25;1-6-2-4-7(5-3-6)11(8,9)10/h3-17H,2H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1