3-[[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]quinazolin-4-one

Systemtic Name: 3-[[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]quinazolin-4-one Openeye Name: 3-[[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]quinazolin-4-one CAS Name: 3-[[4-(2-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-4-quinazolinone IUPAC Name: 3-[[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]quinazolin-4-one Traditional Name: 3-[[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]quinazolin-4-one Formula: C19H20N5O5S+ MolecularWeight: 430.4576

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C=NC3=CC=CC=C3C2=O)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CN2C=NC3=CC=CC=C3C2=O)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O5S/c25-19-15-5-1-2-6-16(15)20-13-22(19)14-21-9-11-23(12-10-21)30(28,29)18-8-4-3-7-17(18)24(26)27/h1-8,13H,9-12,14H2/p+1