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

Systemtic Name: 7-chloranyl-2-[[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 7-chloro-2-[[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 7-chloro-2-[[4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 7-chloro-2-[[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 7-chloro-2-[[4-(2,3,4-trimethoxybenzyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Formula: C23H28ClN4O4+ MolecularWeight: 459.94582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27ClN4O4/c1-30-19-7-4-15(21(31-2)22(19)32-3)13-27-8-10-28(11-9-27)14-20-25-18-12-16(24)5-6-17(18)23(29)26-20/h4-7,12H,8-11,13-14H2,1-3H3,(H,25,26,29)/p+1