2-[(Z)-[4-(dimethylamino)-2-ethoxy-phenyl]-(1-ethyl-2-methyl-indol-1-ium-3-ylidene)methyl]pyridine-3-carboxylate

Systemtic Name: 2-[(Z)-[4-(dimethylamino)-2-ethoxy-phenyl]-(1-ethyl-2-methyl-indol-1-ium-3-ylidene)methyl]pyridine-3-carboxylate Openeye Name: 2-[(Z)-[4-(dimethylamino)-2-ethoxy-phenyl]-(1-ethyl-2-methyl-indol-1-ium-3-ylidene)methyl]pyridine-3-carboxylate CAS Name: 2-[(Z)-[4-(dimethylamino)-2-ethoxyphenyl]-(1-ethyl-2-methyl-3-indol-1-iumylidene)methyl]-3-pyridinecarboxylate IUPAC Name: 2-[(Z)-[4-(dimethylamino)-2-ethoxyphenyl]-(1-ethyl-2-methylindol-1-ium-3-ylidene)methyl]pyridine-3-carboxylate Traditional Name: 2-[(Z)-[4-(dimethylamino)-2-ethoxy-phenyl]-(1-ethyl-2-methyl-indol-1-ium-3-ylidene)methyl]nicotinate Formula: C28H29N3O3 MolecularWeight: 455.54816

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(C(=C(C2=C(C=C(C=C2)N(C)C)OCC)C3=C(C=CC=N3)C(=O)[O-])C4=CC=CC=C41)C

Isomeric SMILES

CC[N+]1=C(/C(=C(/C2=C(C=C(C=C2)N(C)C)OCC)\C3=C(C=CC=N3)C(=O)[O-])/C4=CC=CC=C41)C

InChI

InChI=1S/C28H29N3O3/c1-6-31-18(3)25(20-11-8-9-13-23(20)31)26(27-22(28(32)33)12-10-16-29-27)21-15-14-19(30(4)5)17-24(21)34-7-2/h8-17H,6-7H2,1-5H3