4-azanyl-2-[2-(3-methyl-1H-imidazol-3-ium-2-yl)ethyl]-1H-pyrazol-3-one chloride

Systemtic Name: 4-azanyl-2-[2-(3-methyl-1H-imidazol-3-ium-2-yl)ethyl]-1H-pyrazol-3-one chloride Openeye Name: 4-amino-2-[2-(3-methyl-1H-imidazol-3-ium-2-yl)ethyl]-1H-pyrazol-3-one chloride CAS Name: 4-amino-2-[2-(3-methyl-1H-imidazol-3-ium-2-yl)ethyl]-1H-pyrazol-3-one chloride IUPAC Name: 4-amino-2-[2-(3-methyl-1H-imidazol-3-ium-2-yl)ethyl]-1H-pyrazol-3-one chloride Traditional Name: 4-amino-2-[2-(3-methyl-1H-imidazol-3-ium-2-yl)ethyl]-3-pyrazolin-3-one chloride Formula: C9H14ClN5O MolecularWeight: 243.69336

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC=C1)CCN2C(=O)C(=CN2)N.[Cl-]

Isomeric SMILES

C[N+]1=C(NC=C1)CCN2C(=O)C(=CN2)N.[Cl-]

InChI

InChI=1S/C9H13N5O.ClH/c1-13-5-3-11-8(13)2-4-14-9(15)7(10)6-12-14;/h3,5-6H,2,4,10H2,1H3,(H,12,15);1H