2-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Formula: C20H22ClN4O+ MolecularWeight: 369.86788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C20H21ClN4O/c1-14-6-7-15(21)12-18(14)25-10-8-24(9-11-25)13-19-22-17-5-3-2-4-16(17)20(26)23-19/h2-7,12H,8-11,13H2,1H3,(H,22,23,26)/p+1