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

Systemtic Name: 7-chloranyl-2-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 7-chloro-2-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 7-chloro-2-[[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 7-chloro-2-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 7-chloro-2-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Formula: C20H22ClN4O2+ MolecularWeight: 385.86728

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CC[NH+](CC2)CC3=NC(=O)C4=C(N3)C=C(C=C4)Cl

Isomeric SMILES

COC1=CC=CC(=C1)N2CC[NH+](CC2)CC3=NC(=O)C4=C(N3)C=C(C=C4)Cl

InChI

InChI=1S/C20H21ClN4O2/c1-27-16-4-2-3-15(12-16)25-9-7-24(8-10-25)13-19-22-18-11-14(21)5-6-17(18)20(26)23-19/h2-6,11-12H,7-10,13H2,1H3,(H,22,23,26)/p+1