2-[[azanyl(piperidin-1-ium-1-ylidene)methyl]-butyl-amino]-6-methyl-5-nitro-1H-pyrimidin-4-one

Systemtic Name: 2-[[azanyl(piperidin-1-ium-1-ylidene)methyl]-butyl-amino]-6-methyl-5-nitro-1H-pyrimidin-4-one Openeye Name: 2-[[amino(piperidin-1-ium-1-ylidene)methyl]-butyl-amino]-6-methyl-5-nitro-1H-pyrimidin-4-one CAS Name: 2-[[amino(1-piperidin-1-iumylidene)methyl]-butylamino]-6-methyl-5-nitro-1H-pyrimidin-4-one IUPAC Name: 2-[[amino(piperidin-1-ium-1-ylidene)methyl]-butylamino]-6-methyl-5-nitro-1H-pyrimidin-4-one Traditional Name: 2-[[amino(piperidin-1-ium-1-ylidene)methyl]-butyl-amino]-6-methyl-5-nitro-1H-pyrimidin-4-one Formula: C15H25N6O3+ MolecularWeight: 337.3974

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=NC(=O)C(=C(N1)C)[N+](=O)[O-])C(=[N+]2CCCCC2)N

Isomeric SMILES

CCCCN(C1=NC(=O)C(=C(N1)C)[N+](=O)[O-])C(=[N+]2CCCCC2)N

InChI

InChI=1S/C15H24N6O3/c1-3-4-10-20(14(16)19-8-6-5-7-9-19)15-17-11(2)12(21(23)24)13(22)18-15/h16H,3-10H2,1-2H3,(H,17,18,22)/p+1