methyl 1-ethyl-4-[(E,3E)-3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]quinolin-1-ium-6-carboxylate

Systemtic Name: methyl 1-ethyl-4-[(E,3E)-3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]quinolin-1-ium-6-carboxylate Openeye Name: methyl 1-ethyl-4-[(E,3E)-3-(1,3,3-trimethylindolin-2-ylidene)prop-1-enyl]quinolin-1-ium-6-carboxylate CAS Name: 1-ethyl-4-[(E,3E)-3-(1,3,3-trimethyl-2-indolylidene)prop-1-enyl]-6-quinolin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-ethyl-4-[(E,3E)-3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]quinolin-1-ium-6-carboxylate Traditional Name: 1-ethyl-4-[(E,3E)-3-(1,3,3-trimethylindolin-2-ylidene)prop-1-enyl]quinolin-1-ium-6-carboxylic acid methyl ester Formula: C27H29N2O2+ MolecularWeight: 413.53136

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C2C=CC(=CC2=C(C=C1)C=CC=C3C(C4=CC=CC=C4N3C)(C)C)C(=O)OC

Isomeric SMILES

CC[N+]1=C2C=CC(=CC2=C(C=C1)/C=C/C=C/3\C(C4=CC=CC=C4N3C)(C)C)C(=O)OC

InChI

InChI=1S/C27H29N2O2/c1-6-29-17-16-19(21-18-20(26(30)31-5)14-15-23(21)29)10-9-13-25-27(2,3)22-11-7-8-12-24(22)28(25)4/h7-18H,6H2,1-5H3/q+1