methyl-[3-(3-oxidanylidene-5-phenyl-1,2-dihydropyrazol-4-yl)propyl]azanium

Systemtic Name: methyl-[3-(3-oxidanylidene-5-phenyl-1,2-dihydropyrazol-4-yl)propyl]azanium Openeye Name: methyl-[3-(3-oxo-5-phenyl-1,2-dihydropyrazol-4-yl)propyl]ammonium CAS Name: methyl-[3-(3-oxo-5-phenyl-1,2-dihydropyrazol-4-yl)propyl]ammonium IUPAC Name: methyl-[3-(3-oxo-5-phenyl-1,2-dihydropyrazol-4-yl)propyl]azanium Traditional Name: 3-(3-keto-5-phenyl-3-pyrazolin-4-yl)propyl-methyl-ammonium Formula: C13H18N3O+ MolecularWeight: 232.30152

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]CCCC1=C(NNC1=O)C2=CC=CC=C2

Isomeric SMILES

C[NH2+]CCCC1=C(NNC1=O)C2=CC=CC=C2

InChI

InChI=1S/C13H17N3O/c1-14-9-5-8-11-12(15-16-13(11)17)10-6-3-2-4-7-10/h2-4,6-7,14H,5,8-9H2,1H3,(H2,15,16,17)/p+1