2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[4-(3-nitrophenyl)sulfonylpiperazino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C18H18N5O5S+ MolecularWeight: 416.43102

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=O)[N+]3=CC=CC=C3N2)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC(=O)[N+]3=CC=CC=C3N2)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O5S/c24-18-13-17(19-16-6-1-2-7-22(16)18)20-8-10-21(11-9-20)29(27,28)15-5-3-4-14(12-15)23(25)26/h1-7,12-13H,8-11H2/p+1