methyl 1-[2-(6-methoxy-1H-indol-3-yl)ethyl]pyridin-1-ium-3-carboxylate bromide

Systemtic Name: methyl 1-[2-(6-methoxy-1H-indol-3-yl)ethyl]pyridin-1-ium-3-carboxylate bromide Openeye Name: methyl 1-[2-(6-methoxy-1H-indol-3-yl)ethyl]pyridin-1-ium-3-carboxylate bromide CAS Name: 1-[2-(6-methoxy-1H-indol-3-yl)ethyl]-3-pyridin-1-iumcarboxylic acid methyl ester bromide IUPAC Name: methyl 1-[2-(6-methoxy-1H-indol-3-yl)ethyl]pyridin-1-ium-3-carboxylate bromide Traditional Name: 1-[2-(6-methoxy-1H-indol-3-yl)ethyl]pyridin-1-ium-3-carboxylic acid methyl ester bromide Formula: C18H19BrN2O3 MolecularWeight: 391.25906

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CN2)CC[N+]3=CC=CC(=C3)C(=O)OC.[Br-]

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CN2)CC[N+]3=CC=CC(=C3)C(=O)OC.[Br-]

InChI

InChI=1S/C18H19N2O3.BrH/c1-22-15-5-6-16-13(11-19-17(16)10-15)7-9-20-8-3-4-14(12-20)18(21)23-2;/h3-6,8,10-12,19H,7,9H2,1-2H3;1H/q+1;/p-1