7-chloranyl-2-[[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 7-chloranyl-2-[[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 7-chloro-2-[[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 7-chloro-2-[[4-[(2,5-dimethoxyphenyl)methyl]-1-piperazin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 7-chloro-2-[[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 7-chloro-2-[[4-(2,5-dimethoxybenzyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Formula: C22H26ClN4O3+ MolecularWeight: 429.91984

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CN2CC[NH+](CC2)CC3=NC(=O)C4=C(N3)C=C(C=C4)Cl

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CN2CC[NH+](CC2)CC3=NC(=O)C4=C(N3)C=C(C=C4)Cl

InChI

InChI=1S/C22H25ClN4O3/c1-29-17-4-6-20(30-2)15(11-17)13-26-7-9-27(10-8-26)14-21-24-19-12-16(23)3-5-18(19)22(28)25-21/h3-6,11-12H,7-10,13-14H2,1-2H3,(H,24,25,28)/p+1