3-methyl-2-[3-oxidanylidene-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propyl]quinazolin-4-one

Systemtic Name: 3-methyl-2-[3-oxidanylidene-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propyl]quinazolin-4-one Openeye Name: 2-[3-(4-benzylpiperazin-4-ium-1-yl)-3-oxo-propyl]-3-methyl-quinazolin-4-one CAS Name: 3-methyl-2-[3-oxo-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]propyl]-4-quinazolinone IUPAC Name: 2-[3-(4-benzylpiperazin-4-ium-1-yl)-3-oxopropyl]-3-methylquinazolin-4-one Traditional Name: 2-[3-(4-benzylpiperazin-4-ium-1-yl)-3-keto-propyl]-3-methyl-quinazolin-4-one Formula: C23H27N4O2+ MolecularWeight: 391.48608

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=CC=CC=C2C1=O)CCC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CN1C(=NC2=CC=CC=C2C1=O)CCC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H26N4O2/c1-25-21(24-20-10-6-5-9-19(20)23(25)29)11-12-22(28)27-15-13-26(14-16-27)17-18-7-3-2-4-8-18/h2-10H,11-17H2,1H3/p+1