diethyl 3-azanyl-6-chloranyl-2-(4-methoxypyridin-2-yl)carbonyl-indol-1-ium-1,1-dicarboxylate

Systemtic Name: diethyl 3-azanyl-6-chloranyl-2-(4-methoxypyridin-2-yl)carbonyl-indol-1-ium-1,1-dicarboxylate Openeye Name: diethyl 3-amino-6-chloro-2-(4-methoxypyridine-2-carbonyl)indol-1-ium-1,1-dicarboxylate CAS Name: 3-amino-6-chloro-2-[(4-methoxy-2-pyridinyl)-oxomethyl]indol-1-ium-1,1-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-amino-6-chloro-2-(4-methoxypyridine-2-carbonyl)indol-1-ium-1,1-dicarboxylate Traditional Name: 3-amino-6-chloro-2-(4-methoxypicolinoyl)indol-1-ium-1,1-dicarboxylic acid diethyl ester Formula: C21H21ClN3O6+ MolecularWeight: 446.86094

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)[N+]1(C2=C(C=CC(=C2)Cl)C(=C1C(=O)C3=NC=CC(=C3)OC)N)C(=O)OCC

Isomeric SMILES

CCOC(=O)[N+]1(C2=C(C=CC(=C2)Cl)C(=C1C(=O)C3=NC=CC(=C3)OC)N)C(=O)OCC

InChI

InChI=1S/C21H20ClN3O6/c1-4-30-20(27)25(21(28)31-5-2)16-10-12(22)6-7-14(16)17(23)18(25)19(26)15-11-13(29-3)8-9-24-15/h6-11H,4-5H2,1-3H3,(H-,23,26)/p+1