2-[(4-methylpiperazin-4-ium-1-yl)methyl]-3-(2-oxidanylidenepropyl)quinazolin-4-one

Systemtic Name: 2-[(4-methylpiperazin-4-ium-1-yl)methyl]-3-(2-oxidanylidenepropyl)quinazolin-4-one Openeye Name: 3-acetonyl-2-[(4-methylpiperazin-4-ium-1-yl)methyl]quinazolin-4-one CAS Name: 2-[(4-methyl-1-piperazin-4-iumyl)methyl]-3-(2-oxopropyl)-4-quinazolinone IUPAC Name: 2-[(4-methylpiperazin-4-ium-1-yl)methyl]-3-(2-oxopropyl)quinazolin-4-one Traditional Name: 3-acetonyl-2-[(4-methylpiperazin-4-ium-1-yl)methyl]quinazolin-4-one Formula: C17H23N4O2+ MolecularWeight: 315.39012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1C(=NC2=CC=CC=C2C1=O)CN3CC[NH+](CC3)C

Isomeric SMILES

CC(=O)CN1C(=NC2=CC=CC=C2C1=O)CN3CC[NH+](CC3)C

InChI

InChI=1S/C17H22N4O2/c1-13(22)11-21-16(12-20-9-7-19(2)8-10-20)18-15-6-4-3-5-14(15)17(21)23/h3-6H,7-12H2,1-2H3/p+1