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

Systemtic Name: N,N-diethyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline ethanoate Openeye Name: N,N-diethyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)vinyl]aniline acetate CAS Name: N,N-diethyl-4-[(E)-2-(1,3,3-trimethyl-2-indol-1-iumyl)ethenyl]aniline acetate IUPAC Name: N,N-diethyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline acetate Traditional Name: diethyl-[4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)vinyl]phenyl]amine acetate Formula: C25H32N2O2 MolecularWeight: 392.53378

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C=CC2=[N+](C3=CC=CC=C3C2(C)C)C.CC(=O)[O-]

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)/C=C/C2=[N+](C3=CC=CC=C3C2(C)C)C.CC(=O)[O-]

InChI

InChI=1S/C23H29N2.C2H4O2/c1-6-25(7-2)19-15-12-18(13-16-19)14-17-22-23(3,4)20-10-8-9-11-21(20)24(22)5;1-2(3)4/h8-17H,6-7H2,1-5H3;1H3,(H,3,4)/q+1;/p-1