(2E)-1,3,3-trimethyl-2-[2-(2-methyl-2,3-dihydroindol-1-ium-1-ylidene)ethylidene]-5-phenylmethoxy-indole ethanoate

Systemtic Name: (2E)-1,3,3-trimethyl-2-[2-(2-methyl-2,3-dihydroindol-1-ium-1-ylidene)ethylidene]-5-phenylmethoxy-indole ethanoate Openeye Name: (2E)-5-benzyloxy-1,3,3-trimethyl-2-[2-(2-methylindolin-1-ium-1-ylidene)ethylidene]indoline acetate CAS Name: (2E)-1,3,3-trimethyl-2-[2-(2-methyl-2,3-dihydroindol-1-ium-1-ylidene)ethylidene]-5-phenylmethoxyindole acetate IUPAC Name: (2E)-1,3,3-trimethyl-2-[2-(2-methyl-2,3-dihydroindol-1-ium-1-ylidene)ethylidene]-5-phenylmethoxyindole acetate Traditional Name: (2E)-5-benzoxy-1,3,3-trimethyl-2-[2-(2-methylindolin-1-ium-1-ylidene)ethylidene]indoline acetate Formula: C31H34N2O3 MolecularWeight: 482.61326

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2[N+]1=CC=C3C(C4=C(N3C)C=CC(=C4)OCC5=CC=CC=C5)(C)C.CC(=O)[O-]

Isomeric SMILES

CC1CC2=CC=CC=C2[N+]1=C/C=C/3\C(C4=C(N3C)C=CC(=C4)OCC5=CC=CC=C5)(C)C.CC(=O)[O-]

InChI

InChI=1S/C29H31N2O.C2H4O2/c1-21-18-23-12-8-9-13-26(23)31(21)17-16-28-29(2,3)25-19-24(14-15-27(25)30(28)4)32-20-22-10-6-5-7-11-22;1-2(3)4/h5-17,19,21H,18,20H2,1-4H3;1H3,(H,3,4)/q+1;/p-1