2,4-dimethoxy-N-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline ethanoate

Systemtic Name: 2,4-dimethoxy-N-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline ethanoate Openeye Name: 2,4-dimethoxy-N-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)vinyl]aniline acetate CAS Name: 2,4-dimethoxy-N-[(E)-2-(1,3,3-trimethyl-2-indol-1-iumyl)ethenyl]aniline acetate IUPAC Name: 2,4-dimethoxy-N-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline acetate Traditional Name: (2,4-dimethoxyphenyl)-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)vinyl]amine acetate Formula: C23H28N2O4 MolecularWeight: 396.47942

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].CC1(C2=CC=CC=C2[N+](=C1C=CNC3=C(C=C(C=C3)OC)OC)C)C

Isomeric SMILES

CC(=O)[O-].CC1(C2=CC=CC=C2[N+](=C1/C=C/NC3=C(C=C(C=C3)OC)OC)C)C

InChI

InChI=1S/C21H24N2O2.C2H4O2/c1-21(2)16-8-6-7-9-18(16)23(3)20(21)12-13-22-17-11-10-15(24-4)14-19(17)25-5;1-2(3)4/h6-14H,1-5H3;1H3,(H,3,4)