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

Systemtic Name: 2-[3-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-3-methyl-quinazolin-4-one Openeye Name: 2-[3-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-3-oxo-propyl]-3-methyl-quinazolin-4-one CAS Name: 2-[3-[4-[(3-chlorophenyl)methyl]-1-piperazin-4-iumyl]-3-oxopropyl]-3-methyl-4-quinazolinone IUPAC Name: 2-[3-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-3-oxopropyl]-3-methylquinazolin-4-one Traditional Name: 2-[3-[4-(3-chlorobenzyl)piperazin-4-ium-1-yl]-3-keto-propyl]-3-methyl-quinazolin-4-one Formula: C23H26ClN4O2+ MolecularWeight: 425.93114

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H25ClN4O2/c1-26-21(25-20-8-3-2-7-19(20)23(26)30)9-10-22(29)28-13-11-27(12-14-28)16-17-5-4-6-18(24)15-17/h2-8,15H,9-14,16H2,1H3/p+1