methyl 1-[(3-methoxycarbonylpyridin-1-ium-1-yl)methyl]indole-2-carboxylate

Systemtic Name: methyl 1-[(3-methoxycarbonylpyridin-1-ium-1-yl)methyl]indole-2-carboxylate Openeye Name: methyl 1-[(3-methoxycarbonylpyridin-1-ium-1-yl)methyl]indole-2-carboxylate CAS Name: 1-[(3-methoxycarbonyl-1-pyridin-1-iumyl)methyl]-2-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[(3-methoxycarbonylpyridin-1-ium-1-yl)methyl]indole-2-carboxylate Traditional Name: 1-[(3-carbomethoxypyridin-1-ium-1-yl)methyl]indole-2-carboxylic acid methyl ester Formula: C18H17N2O4+ MolecularWeight: 325.33858

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C[N+](=CC=C1)CN2C3=CC=CC=C3C=C2C(=O)OC

Isomeric SMILES

COC(=O)C1=C[N+](=CC=C1)CN2C3=CC=CC=C3C=C2C(=O)OC

InChI

InChI=1S/C18H17N2O4/c1-23-17(21)14-7-5-9-19(11-14)12-20-15-8-4-3-6-13(15)10-16(20)18(22)24-2/h3-11H,12H2,1-2H3/q+1