[4-(5-azanyl-1-methyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4-oxidanylidene-butyl]-methyl-azanium

Systemtic Name: [4-(5-azanyl-1-methyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4-oxidanylidene-butyl]-methyl-azanium Openeye Name: [4-(5-amino-1-methyl-3-oxo-2-phenyl-pyrazol-4-yl)-4-oxo-butyl]-methyl-ammonium CAS Name: [4-(5-amino-1-methyl-3-oxo-2-phenyl-4-pyrazolyl)-4-oxobutyl]-methylammonium IUPAC Name: [4-(5-amino-1-methyl-3-oxo-2-phenylpyrazol-4-yl)-4-oxobutyl]-methylazanium Traditional Name: [4-(5-amino-3-keto-1-methyl-2-phenyl-3-pyrazolin-4-yl)-4-keto-butyl]-methyl-ammonium Formula: C15H21N4O2+ MolecularWeight: 289.35284

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]CCCC(=O)C1=C(N(N(C1=O)C2=CC=CC=C2)C)N

Isomeric SMILES

C[NH2+]CCCC(=O)C1=C(N(N(C1=O)C2=CC=CC=C2)C)N

InChI

InChI=1S/C15H20N4O2/c1-17-10-6-9-12(20)13-14(16)18(2)19(15(13)21)11-7-4-3-5-8-11/h3-5,7-8,17H,6,9-10,16H2,1-2H3/p+1