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

Systemtic Name: 7-chloranyl-2-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 7-chloro-2-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 7-chloro-2-[[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 7-chloro-2-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 7-chloro-2-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Formula: C21H24ClN4O+ MolecularWeight: 383.89446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=NC(=O)C4=C(N3)C=C(C=C4)Cl)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=NC(=O)C4=C(N3)C=C(C=C4)Cl)C

InChI

InChI=1S/C21H23ClN4O/c1-14-4-3-5-19(15(14)2)26-10-8-25(9-11-26)13-20-23-18-12-16(22)6-7-17(18)21(27)24-20/h3-7,12H,8-11,13H2,1-2H3,(H,23,24,27)/p+1