methyl 2-[3-ethyl-1-[2-(1H-indol-3-yl)ethyl]pyridin-1-ium-4-yl]ethanoate chloride

Systemtic Name: methyl 2-[3-ethyl-1-[2-(1H-indol-3-yl)ethyl]pyridin-1-ium-4-yl]ethanoate chloride Openeye Name: methyl 2-[3-ethyl-1-[2-(1H-indol-3-yl)ethyl]pyridin-1-ium-4-yl]acetate chloride CAS Name: 2-[3-ethyl-1-[2-(1H-indol-3-yl)ethyl]-4-pyridin-1-iumyl]acetic acid methyl ester chloride IUPAC Name: methyl 2-[3-ethyl-1-[2-(1H-indol-3-yl)ethyl]pyridin-1-ium-4-yl]acetate chloride Traditional Name: 2-[3-ethyl-1-[2-(1H-indol-3-yl)ethyl]pyridin-1-ium-4-yl]acetic acid methyl ester chloride Formula: C20H23ClN2O2 MolecularWeight: 358.86182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N2O2.ClH/c1-3-15-14-22(10-8-16(15)12-20(23)24-2)11-9-17-13-21-19-7-5-4-6-18(17)19;/h4-8,10,13-14,21H,3,9,11-12H2,1-2H3;1H/q+1;/p-1