methyl 5-ethyl-1-[2-(1H-indol-3-yl)ethyl]pyridin-1-ium-3-carboxylate bromide

Systemtic Name: methyl 5-ethyl-1-[2-(1H-indol-3-yl)ethyl]pyridin-1-ium-3-carboxylate bromide Openeye Name: methyl 5-ethyl-1-[2-(1H-indol-3-yl)ethyl]pyridin-1-ium-3-carboxylate bromide CAS Name: 5-ethyl-1-[2-(1H-indol-3-yl)ethyl]-3-pyridin-1-iumcarboxylic acid methyl ester bromide IUPAC Name: methyl 5-ethyl-1-[2-(1H-indol-3-yl)ethyl]pyridin-1-ium-3-carboxylate bromide Traditional Name: 5-ethyl-1-[2-(1H-indol-3-yl)ethyl]pyridin-1-ium-3-carboxylic acid methyl ester bromide Formula: C19H21BrN2O2 MolecularWeight: 389.28624

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C[N+](=CC(=C1)C(=O)OC)CCC2=CNC3=CC=CC=C32.[Br-]

Isomeric SMILES

CCC1=C[N+](=CC(=C1)C(=O)OC)CCC2=CNC3=CC=CC=C32.[Br-]

InChI

InChI=1S/C19H21N2O2.BrH/c1-3-14-10-16(19(22)23-2)13-21(12-14)9-8-15-11-20-18-7-5-4-6-17(15)18;/h4-7,10-13,20H,3,8-9H2,1-2H3;1H/q+1;/p-1