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

Systemtic Name: 2-(4-cyclopentylpiperazin-4-ium-1-yl)-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-(4-cyclopentylpiperazin-4-ium-1-yl)-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-(4-cyclopentyl-1-piperazin-4-iumyl)-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-(4-cyclopentylpiperazin-4-ium-1-yl)-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-(4-cyclopentylpiperazin-4-ium-1-yl)-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C17H23N5O3+2 MolecularWeight: 345.39622

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+]2CCN(CC2)C3=C(C(=O)[N+]4=CC=CC=C4N3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(C1)[NH+]2CCN(CC2)C3=C(C(=O)[N+]4=CC=CC=C4N3)[N+](=O)[O-]

InChI

InChI=1S/C17H21N5O3/c23-17-15(22(24)25)16(18-14-7-3-4-8-21(14)17)20-11-9-19(10-12-20)13-5-1-2-6-13/h3-4,7-8,13H,1-2,5-6,9-12H2/p+2