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

Systemtic Name: 2-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[(4-veratrylpiperazin-1-ium-1-yl)methyl]-1H-quinazolin-4-one Formula: C22H27N4O3+ MolecularWeight: 395.47478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O3/c1-28-19-8-7-16(13-20(19)29-2)14-25-9-11-26(12-10-25)15-21-23-18-6-4-3-5-17(18)22(27)24-21/h3-8,13H,9-12,14-15H2,1-2H3,(H,23,24,27)/p+1