2-[(1R)-1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[(1R)-1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one Openeye Name: 2-[(1R)-1-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one CAS Name: 2-[(1R)-1-[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[(1R)-1-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one Traditional Name: 2-[(1R)-1-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one Formula: C21H24ClN4O+ MolecularWeight: 383.89446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)C(C)C3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)[C@H](C)C3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C21H23ClN4O/c1-14-7-8-16(22)13-19(14)26-11-9-25(10-12-26)15(2)20-23-18-6-4-3-5-17(18)21(27)24-20/h3-8,13,15H,9-12H2,1-2H3,(H,23,24,27)/p+1/t15-/m1/s1