7-(4-cyclopentylpiperazin-4-ium-1-yl)-6-nitro-1H-quinazolin-4-one

Systemtic Name: 7-(4-cyclopentylpiperazin-4-ium-1-yl)-6-nitro-1H-quinazolin-4-one Openeye Name: 7-(4-cyclopentylpiperazin-4-ium-1-yl)-6-nitro-1H-quinazolin-4-one CAS Name: 7-(4-cyclopentyl-1-piperazin-4-iumyl)-6-nitro-1H-quinazolin-4-one IUPAC Name: 7-(4-cyclopentylpiperazin-4-ium-1-yl)-6-nitro-1H-quinazolin-4-one Traditional Name: 7-(4-cyclopentylpiperazin-4-ium-1-yl)-6-nitro-1H-quinazolin-4-one Formula: C17H22N5O3+ MolecularWeight: 344.38828

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+]2CCN(CC2)C3=C(C=C4C(=C3)NC=NC4=O)[N+](=O)[O-]

Isomeric SMILES

C1CCC(C1)[NH+]2CCN(CC2)C3=C(C=C4C(=C3)NC=NC4=O)[N+](=O)[O-]

InChI

InChI=1S/C17H21N5O3/c23-17-13-9-16(22(24)25)15(10-14(13)18-11-19-17)21-7-5-20(6-8-21)12-3-1-2-4-12/h9-12H,1-8H2,(H,18,19,23)/p+1