5-azanyl-3-butyl-1,4-dimethyl-1-oxidanidyl-4H-pyrimidin-1-ium-2-one

Systemtic Name: 5-azanyl-3-butyl-1,4-dimethyl-1-oxidanidyl-4H-pyrimidin-1-ium-2-one Openeye Name: 5-amino-3-butyl-1,4-dimethyl-1-oxido-4H-pyrimidin-1-ium-2-one CAS Name: 5-amino-3-butyl-1,4-dimethyl-1-oxido-4H-pyrimidin-1-ium-2-one IUPAC Name: 5-amino-3-butyl-1,4-dimethyl-1-oxido-4H-pyrimidin-1-ium-2-one Traditional Name: 5-amino-3-butyl-1,4-dimethyl-1-oxido-4H-pyrimidin-1-ium-2-one Formula: C10H19N3O2 MolecularWeight: 213.27676

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C(=C[N+](C1=O)(C)[O-])N)C

Isomeric SMILES

CCCCN1C(C(=C[N+](C1=O)(C)[O-])N)C

InChI

InChI=1S/C10H19N3O2/c1-4-5-6-12-8(2)9(11)7-13(3,15)10(12)14/h7-8H,4-6,11H2,1-3H3