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

Systemtic Name: 2-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-3-(2-oxidanylidenepropyl)quinazolin-4-one Openeye Name: 3-acetonyl-2-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]quinazolin-4-one CAS Name: 2-[[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-3-(2-oxopropyl)-4-quinazolinone IUPAC Name: 2-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-3-(2-oxopropyl)quinazolin-4-one Traditional Name: 3-acetonyl-2-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]quinazolin-4-one Formula: C23H27N4O3+ MolecularWeight: 407.48548

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1C(=NC2=CC=CC=C2C1=O)C[NH+]3CCN(CC3)C4=CC=CC=C4OC

Isomeric SMILES

CC(=O)CN1C(=NC2=CC=CC=C2C1=O)C[NH+]3CCN(CC3)C4=CC=CC=C4OC

InChI

InChI=1S/C23H26N4O3/c1-17(28)15-27-22(24-19-8-4-3-7-18(19)23(27)29)16-25-11-13-26(14-12-25)20-9-5-6-10-21(20)30-2/h3-10H,11-16H2,1-2H3/p+1