5-methoxy-3-[(1-propylpyridin-1-ium-3-yl)methyl]-1H-indole bromide

Systemtic Name: 5-methoxy-3-[(1-propylpyridin-1-ium-3-yl)methyl]-1H-indole bromide Openeye Name: 5-methoxy-3-[(1-propylpyridin-1-ium-3-yl)methyl]-1H-indole bromide CAS Name: 5-methoxy-3-[(1-propyl-3-pyridin-1-iumyl)methyl]-1H-indole bromide IUPAC Name: 5-methoxy-3-[(1-propylpyridin-1-ium-3-yl)methyl]-1H-indole bromide Traditional Name: 5-methoxy-3-[(1-propylpyridin-1-ium-3-yl)methyl]-1H-indole bromide Formula: C18H21BrN2O MolecularWeight: 361.27614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=CC=CC(=C1)CC2=CNC3=C2C=C(C=C3)OC.[Br-]

Isomeric SMILES

CCC[N+]1=CC=CC(=C1)CC2=CNC3=C2C=C(C=C3)OC.[Br-]

InChI

InChI=1S/C18H21N2O.BrH/c1-3-8-20-9-4-5-14(13-20)10-15-12-19-18-7-6-16(21-2)11-17(15)18;/h4-7,9,11-13,19H,3,8,10H2,1-2H3;1H/q+1;/p-1