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

Systemtic Name: 2-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Formula: C20H23N4O2+ MolecularWeight: 351.42222

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)CC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)CC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C20H22N4O2/c1-26-18-9-5-4-8-17(18)24-12-10-23(11-13-24)14-19-21-16-7-3-2-6-15(16)20(25)22-19/h2-9H,10-14H2,1H3,(H,21,22,25)/p+1