methyl 3-[(1-methylpyridin-1-ium-2-yl)-oxidanyl-methyl]-1H-indole-2-carboxylate

Systemtic Name: methyl 3-[(1-methylpyridin-1-ium-2-yl)-oxidanyl-methyl]-1H-indole-2-carboxylate Openeye Name: methyl 3-[hydroxy-(1-methylpyridin-1-ium-2-yl)methyl]-1H-indole-2-carboxylate CAS Name: 3-[hydroxy-(1-methyl-2-pyridin-1-iumyl)methyl]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[hydroxy-(1-methylpyridin-1-ium-2-yl)methyl]-1H-indole-2-carboxylate Traditional Name: 3-[hydroxy-(1-methylpyridin-1-ium-2-yl)methyl]-1H-indole-2-carboxylic acid methyl ester Formula: C17H17N2O3+ MolecularWeight: 297.32848

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1C(C2=C(NC3=CC=CC=C32)C(=O)OC)O

Isomeric SMILES

C[N+]1=CC=CC=C1C(C2=C(NC3=CC=CC=C32)C(=O)OC)O

InChI

InChI=1S/C17H16N2O3/c1-19-10-6-5-9-13(19)16(20)14-11-7-3-4-8-12(11)18-15(14)17(21)22-2/h3-10,16,20H,1-2H3/p+1