methyl 1-[(3E)-2-oxidanylidene-3-(1,3,3-trimethylindol-2-ylidene)propyl]pyridin-1-ium-3-carboxylate

Systemtic Name: methyl 1-[(3E)-2-oxidanylidene-3-(1,3,3-trimethylindol-2-ylidene)propyl]pyridin-1-ium-3-carboxylate Openeye Name: methyl 1-[(3E)-2-oxo-3-(1,3,3-trimethylindolin-2-ylidene)propyl]pyridin-1-ium-3-carboxylate CAS Name: 1-[(3E)-2-oxo-3-(1,3,3-trimethyl-2-indolylidene)propyl]-3-pyridin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[(3E)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl]pyridin-1-ium-3-carboxylate Traditional Name: 1-[(3E)-2-keto-3-(1,3,3-trimethylindolin-2-ylidene)propyl]pyridin-1-ium-3-carboxylic acid methyl ester Formula: C21H23N2O3+ MolecularWeight: 351.41892

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2N(C1=CC(=O)C[N+]3=CC=CC(=C3)C(=O)OC)C)C

Isomeric SMILES

CC\1(C2=CC=CC=C2N(/C1=C/C(=O)C[N+]3=CC=CC(=C3)C(=O)OC)C)C

InChI

InChI=1S/C21H23N2O3/c1-21(2)17-9-5-6-10-18(17)22(3)19(21)12-16(24)14-23-11-7-8-15(13-23)20(25)26-4/h5-13H,14H2,1-4H3/q+1/b19-12+