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

Systemtic Name: ethyl 3-[(1-methylpyridin-1-ium-3-yl)-oxidanyl-methyl]-1H-indole-2-carboxylate Openeye Name: ethyl 3-[hydroxy-(1-methylpyridin-1-ium-3-yl)methyl]-1H-indole-2-carboxylate CAS Name: 3-[hydroxy-(1-methyl-3-pyridin-1-iumyl)methyl]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[hydroxy-(1-methylpyridin-1-ium-3-yl)methyl]-1H-indole-2-carboxylate Traditional Name: 3-[hydroxy-(1-methylpyridin-1-ium-3-yl)methyl]-1H-indole-2-carboxylic acid ethyl ester Formula: C18H19N2O3+ MolecularWeight: 311.35506

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N1)C(C3=C[N+](=CC=C3)C)O

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N1)C(C3=C[N+](=CC=C3)C)O

InChI

InChI=1S/C18H18N2O3/c1-3-23-18(22)16-15(13-8-4-5-9-14(13)19-16)17(21)12-7-6-10-20(2)11-12/h4-11,17,21H,3H2,1-2H3/p+1