6-ethoxy-1-methyl-2-[(E)-2-(3-nitrophenyl)ethenyl]quinolin-1-ium; 4-methylbenzenesulfonate

Systemtic Name: 6-ethoxy-1-methyl-2-[(E)-2-(3-nitrophenyl)ethenyl]quinolin-1-ium; 4-methylbenzenesulfonate Openeye Name: 6-ethoxy-1-methyl-2-[(E)-2-(3-nitrophenyl)vinyl]quinolin-1-ium; 4-methylbenzenesulfonate CAS Name: 6-ethoxy-1-methyl-2-[(E)-2-(3-nitrophenyl)ethenyl]quinolin-1-ium; 4-methylbenzenesulfonate IUPAC Name: 6-ethoxy-1-methyl-2-[(E)-2-(3-nitrophenyl)ethenyl]quinolin-1-ium; 4-methylbenzenesulfonate Traditional Name: 6-ethoxy-1-methyl-2-[(E)-2-(3-nitrophenyl)vinyl]quinolin-1-ium tosylate Formula: C27H26N2O6S MolecularWeight: 506.57014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)[N+](=C(C=C2)C=CC3=CC(=CC=C3)[N+](=O)[O-])C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCOC1=CC2=C(C=C1)[N+](=C(C=C2)/C=C/C3=CC(=CC=C3)[N+](=O)[O-])C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C20H19N2O3.C7H8O3S/c1-3-25-19-11-12-20-16(14-19)8-10-17(21(20)2)9-7-15-5-4-6-18(13-15)22(23)24;1-6-2-4-7(5-3-6)11(8,9)10/h4-14H,3H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1/b9-7+;