[7-(5-azanyl-1-methyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-7-oxidanylidene-heptyl]azanium

Systemtic Name: [7-(5-azanyl-1-methyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-7-oxidanylidene-heptyl]azanium Openeye Name: [7-(5-amino-1-methyl-3-oxo-2-phenyl-pyrazol-4-yl)-7-oxo-heptyl]ammonium CAS Name: [7-(5-amino-1-methyl-3-oxo-2-phenyl-4-pyrazolyl)-7-oxoheptyl]ammonium IUPAC Name: [7-(5-amino-1-methyl-3-oxo-2-phenylpyrazol-4-yl)-7-oxoheptyl]azanium Traditional Name: [7-(5-amino-3-keto-1-methyl-2-phenyl-3-pyrazolin-4-yl)-7-keto-heptyl]ammonium Formula: C17H25N4O2+ MolecularWeight: 317.406

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N1C2=CC=CC=C2)C(=O)CCCCCC[NH3+])N

Isomeric SMILES

CN1C(=C(C(=O)N1C2=CC=CC=C2)C(=O)CCCCCC[NH3+])N

InChI

InChI=1S/C17H24N4O2/c1-20-16(19)15(14(22)11-7-2-3-8-12-18)17(23)21(20)13-9-5-4-6-10-13/h4-6,9-10H,2-3,7-8,11-12,18-19H2,1H3/p+1