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

Systemtic Name: 2-[[4-[(4-methoxyphenyl)methyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-[(4-methoxyphenyl)methyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-[(4-methoxyphenyl)methyl]-1-piperazin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-[(4-methoxyphenyl)methyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[(4-p-anisylpiperazin-1-ium-1-yl)methyl]-1H-quinazolin-4-one Formula: C21H25N4O2+ MolecularWeight: 365.4488

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CC[NH+](CC2)CC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

COC1=CC=C(C=C1)CN2CC[NH+](CC2)CC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C21H24N4O2/c1-27-17-8-6-16(7-9-17)14-24-10-12-25(13-11-24)15-20-22-19-5-3-2-4-18(19)21(26)23-20/h2-9H,10-15H2,1H3,(H,22,23,26)/p+1