2-[[4-(3,4-dimethoxyphenyl)carbonylpiperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[4-(3,4-dimethoxyphenyl)carbonylpiperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-(3,4-dimethoxybenzoyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-[(3,4-dimethoxyphenyl)-oxomethyl]-1-piperazin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-(3,4-dimethoxybenzoyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[(4-veratroylpiperazin-1-ium-1-yl)methyl]-1H-quinazolin-4-one Formula: C22H25N4O4+ MolecularWeight: 409.4583

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=NC(=O)C4=CC=CC=C4N3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=NC(=O)C4=CC=CC=C4N3)OC

InChI

InChI=1S/C22H24N4O4/c1-29-18-8-7-15(13-19(18)30-2)22(28)26-11-9-25(10-12-26)14-20-23-17-6-4-3-5-16(17)21(27)24-20/h3-8,13H,9-12,14H2,1-2H3,(H,23,24,27)/p+1