methyl 3-[(5-methoxy-1-methyl-pyridin-1-ium-2-yl)methyl]-2,3-dihydroindole-1-carboxylate iodide

Systemtic Name: methyl 3-[(5-methoxy-1-methyl-pyridin-1-ium-2-yl)methyl]-2,3-dihydroindole-1-carboxylate iodide Openeye Name: methyl 3-[(5-methoxy-1-methyl-pyridin-1-ium-2-yl)methyl]indoline-1-carboxylate iodide CAS Name: 3-[(5-methoxy-1-methyl-2-pyridin-1-iumyl)methyl]-2,3-dihydroindole-1-carboxylic acid methyl ester iodide IUPAC Name: methyl 3-[(5-methoxy-1-methylpyridin-1-ium-2-yl)methyl]-2,3-dihydroindole-1-carboxylate iodide Traditional Name: 3-[(5-methoxy-1-methyl-pyridin-1-ium-2-yl)methyl]indoline-1-carboxylic acid methyl ester iodide Formula: C18H21IN2O3 MolecularWeight: 440.27541

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C=CC(=C1)OC)CC2CN(C3=CC=CC=C23)C(=O)OC.[I-]

Isomeric SMILES

C[N+]1=C(C=CC(=C1)OC)CC2CN(C3=CC=CC=C23)C(=O)OC.[I-]

InChI

InChI=1S/C18H21N2O3.HI/c1-19-12-15(22-2)9-8-14(19)10-13-11-20(18(21)23-3)17-7-5-4-6-16(13)17;/h4-9,12-13H,10-11H2,1-3H3;1H/q+1;/p-1