1-[4-(1H-indol-3-yl)-4-(3-methoxypyridin-2-yl)piperazin-4-ium-1-yl]butan-1-one

Systemtic Name: 1-[4-(1H-indol-3-yl)-4-(3-methoxypyridin-2-yl)piperazin-4-ium-1-yl]butan-1-one Openeye Name: 1-[4-(1H-indol-3-yl)-4-(3-methoxy-2-pyridyl)piperazin-4-ium-1-yl]butan-1-one CAS Name: 1-[4-(1H-indol-3-yl)-4-(3-methoxy-2-pyridinyl)-1-piperazin-4-iumyl]-1-butanone IUPAC Name: 1-[4-(1H-indol-3-yl)-4-(3-methoxypyridin-2-yl)piperazin-4-ium-1-yl]butan-1-one Traditional Name: 1-[4-(1H-indol-3-yl)-4-(3-methoxy-2-pyridyl)piperazin-4-ium-1-yl]butan-1-one Formula: C22H27N4O2+ MolecularWeight: 379.47538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CC[N+](CC1)(C2=CNC3=CC=CC=C32)C4=C(C=CC=N4)OC

Isomeric SMILES

CCCC(=O)N1CC[N+](CC1)(C2=CNC3=CC=CC=C32)C4=C(C=CC=N4)OC

InChI

InChI=1S/C22H27N4O2/c1-3-7-21(27)25-12-14-26(15-13-25,22-20(28-2)10-6-11-23-22)19-16-24-18-9-5-4-8-17(18)19/h4-6,8-11,16,24H,3,7,12-15H2,1-2H3/q+1