2-[[4-(1H-indol-3-yl)piperidin-1-ium-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[4-(1H-indol-3-yl)piperidin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-(1H-indol-3-yl)piperidin-1-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-(1H-indol-3-yl)-1-piperidin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-(1H-indol-3-yl)piperidin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[4-(1H-indol-3-yl)piperidin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Formula: C22H23N4O+ MolecularWeight: 359.44422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=CNC3=CC=CC=C32)CC4=NC(=O)C5=CC=CC=C5N4

Isomeric SMILES

C1C[NH+](CCC1C2=CNC3=CC=CC=C32)CC4=NC(=O)C5=CC=CC=C5N4

InChI

InChI=1S/C22H22N4O/c27-22-17-6-2-4-8-20(17)24-21(25-22)14-26-11-9-15(10-12-26)18-13-23-19-7-3-1-5-16(18)19/h1-8,13,15,23H,9-12,14H2,(H,24,25,27)/p+1