1H-indol-2-yl-[1-[2-(4-methoxyphenyl)ethyl]pyridin-1-ium-3-yl]methanone bromide

Systemtic Name: 1H-indol-2-yl-[1-[2-(4-methoxyphenyl)ethyl]pyridin-1-ium-3-yl]methanone bromide Openeye Name: 1H-indol-2-yl-[1-[2-(4-methoxyphenyl)ethyl]pyridin-1-ium-3-yl]methanone bromide CAS Name: 1H-indol-2-yl-[1-[2-(4-methoxyphenyl)ethyl]-3-pyridin-1-iumyl]methanone bromide IUPAC Name: 1H-indol-2-yl-[1-[2-(4-methoxyphenyl)ethyl]pyridin-1-ium-3-yl]methanone bromide Traditional Name: 1H-indol-2-yl-[1-[2-(4-methoxyphenyl)ethyl]pyridin-1-ium-3-yl]methanone bromide Formula: C23H21BrN2O2 MolecularWeight: 437.32904

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC[N+]2=CC=CC(=C2)C(=O)C3=CC4=CC=CC=C4N3.[Br-]

Isomeric SMILES

COC1=CC=C(C=C1)CC[N+]2=CC=CC(=C2)C(=O)C3=CC4=CC=CC=C4N3.[Br-]

InChI

InChI=1S/C23H20N2O2.BrH/c1-27-20-10-8-17(9-11-20)12-14-25-13-4-6-19(16-25)23(26)22-15-18-5-2-3-7-21(18)24-22;/h2-11,13,15-16H,12,14H2,1H3;1H