methyl 2-[2-(1H-indol-3-yl)ethyl]-5,6,7,8-tetrahydroisoquinolin-2-ium-5-carboxylate bromide

Systemtic Name: methyl 2-[2-(1H-indol-3-yl)ethyl]-5,6,7,8-tetrahydroisoquinolin-2-ium-5-carboxylate bromide Openeye Name: methyl 2-[2-(1H-indol-3-yl)ethyl]-5,6,7,8-tetrahydroisoquinolin-2-ium-5-carboxylate bromide CAS Name: 2-[2-(1H-indol-3-yl)ethyl]-5,6,7,8-tetrahydroisoquinolin-2-ium-5-carboxylic acid methyl ester bromide IUPAC Name: methyl 2-[2-(1H-indol-3-yl)ethyl]-5,6,7,8-tetrahydroisoquinolin-2-ium-5-carboxylate bromide Traditional Name: 2-[2-(1H-indol-3-yl)ethyl]-5,6,7,8-tetrahydroisoquinolin-2-ium-5-carboxylic acid methyl ester bromide Formula: C21H23BrN2O2 MolecularWeight: 415.32352

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCC2=C1C=C[N+](=C2)CCC3=CNC4=CC=CC=C43.[Br-]

Isomeric SMILES

COC(=O)C1CCCC2=C1C=C[N+](=C2)CCC3=CNC4=CC=CC=C43.[Br-]

InChI

InChI=1S/C21H23N2O2.BrH/c1-25-21(24)19-7-4-5-16-14-23(12-10-17(16)19)11-9-15-13-22-20-8-3-2-6-18(15)20;/h2-3,6,8,10,12-14,19,22H,4-5,7,9,11H2,1H3;1H/q+1;/p-1