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

Systemtic Name: 4-methoxy-N-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline ethanoate Openeye Name: 4-methoxy-N-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)vinyl]aniline acetate CAS Name: 4-methoxy-N-[(E)-2-(1,3,3-trimethyl-2-indol-1-iumyl)ethenyl]aniline acetate IUPAC Name: 4-methoxy-N-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline acetate Traditional Name: (4-methoxyphenyl)-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)vinyl]amine acetate Formula: C22H26N2O3 MolecularWeight: 366.45344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O.C2H4O2/c1-20(2)17-7-5-6-8-18(17)22(3)19(20)13-14-21-15-9-11-16(23-4)12-10-15;1-2(3)4/h5-14H,1-4H3;1H3,(H,3,4)