5-methoxy-3-[[1-[1-(4-nitrophenyl)ethyl]pyridin-1-ium-3-yl]methyl]-1H-indole bromide

Systemtic Name: 5-methoxy-3-[[1-[1-(4-nitrophenyl)ethyl]pyridin-1-ium-3-yl]methyl]-1H-indole bromide Openeye Name: 5-methoxy-3-[[1-[1-(4-nitrophenyl)ethyl]pyridin-1-ium-3-yl]methyl]-1H-indole bromide CAS Name: 5-methoxy-3-[[1-[1-(4-nitrophenyl)ethyl]-3-pyridin-1-iumyl]methyl]-1H-indole bromide IUPAC Name: 5-methoxy-3-[[1-[1-(4-nitrophenyl)ethyl]pyridin-1-ium-3-yl]methyl]-1H-indole bromide Traditional Name: 5-methoxy-3-[[1-[1-(4-nitrophenyl)ethyl]pyridin-1-ium-3-yl]methyl]-1H-indole bromide Formula: C23H22BrN3O3 MolecularWeight: 468.34308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)[N+](=O)[O-])[N+]2=CC=CC(=C2)CC3=CNC4=C3C=C(C=C4)OC.[Br-]

Isomeric SMILES

CC(C1=CC=C(C=C1)[N+](=O)[O-])[N+]2=CC=CC(=C2)CC3=CNC4=C3C=C(C=C4)OC.[Br-]

InChI

InChI=1S/C23H22N3O3.BrH/c1-16(18-5-7-20(8-6-18)26(27)28)25-11-3-4-17(15-25)12-19-14-24-23-10-9-21(29-2)13-22(19)23;/h3-11,13-16,24H,12H2,1-2H3;1H/q+1;/p-1