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

Systemtic Name: 4-azanyl-2-[2-(3-methyl-1H-imidazol-3-ium-2-yl)ethyl]-1H-pyrazol-3-one Openeye Name: 4-amino-2-[2-(3-methyl-1H-imidazol-3-ium-2-yl)ethyl]-1H-pyrazol-3-one CAS Name: 4-amino-2-[2-(3-methyl-1H-imidazol-3-ium-2-yl)ethyl]-1H-pyrazol-3-one IUPAC Name: 4-amino-2-[2-(3-methyl-1H-imidazol-3-ium-2-yl)ethyl]-1H-pyrazol-3-one Traditional Name: 4-amino-2-[2-(3-methyl-1H-imidazol-3-ium-2-yl)ethyl]-3-pyrazolin-3-one Formula: C9H14N5O+ MolecularWeight: 208.24036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H13N5O/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)/p+1