4-methoxy-N-methyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline; 4-methylbenzenesulfonate

Systemtic Name: 4-methoxy-N-methyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline; 4-methylbenzenesulfonate Openeye Name: 4-methoxy-N-methyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methyleneamino]aniline; 4-methylbenzenesulfonate CAS Name: 4-methoxy-N-methyl-N-[(E)-(1,3,3-trimethyl-2-indol-1-iumyl)methylideneamino]aniline; 4-methylbenzenesulfonate IUPAC Name: 4-methoxy-N-methyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline; 4-methylbenzenesulfonate Traditional Name: (4-methoxyphenyl)-methyl-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methyleneamino]amine tosylate Formula: C27H31N3O4S MolecularWeight: 493.61774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1(C2=CC=CC=C2[N+](=C1C=NN(C)C3=CC=C(C=C3)OC)C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H24N3O.C7H8O3S/c1-20(2)17-8-6-7-9-18(17)22(3)19(20)14-21-23(4)15-10-12-16(24-5)13-11-15;1-6-2-4-7(5-3-6)11(8,9)10/h6-14H,1-5H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1