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

Systemtic Name: 2-[[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-(2-chloro-4-nitro-phenyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-(2-chloro-4-nitrophenyl)-1-piperazin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-(2-chloro-4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[4-(2-chloro-4-nitro-phenyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Formula: C19H19ClN5O3+ MolecularWeight: 400.83886

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=O)C3=CC=CC=C3N2)C4=C(C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=O)C3=CC=CC=C3N2)C4=C(C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H18ClN5O3/c20-15-11-13(25(27)28)5-6-17(15)24-9-7-23(8-10-24)12-18-21-16-4-2-1-3-14(16)19(26)22-18/h1-6,11H,7-10,12H2,(H,21,22,26)/p+1