dimethyl-[[3-methyl-4-(methylamino)-5-oxidanylidene-1,2,4-triazol-1-yl]carbonyl]-(3-phenylpropyl)azanium

Systemtic Name: dimethyl-[[3-methyl-4-(methylamino)-5-oxidanylidene-1,2,4-triazol-1-yl]carbonyl]-(3-phenylpropyl)azanium Openeye Name: dimethyl-[3-methyl-4-(methylamino)-5-oxo-1,2,4-triazole-1-carbonyl]-(3-phenylpropyl)ammonium CAS Name: dimethyl-[[3-methyl-4-(methylamino)-5-oxo-1,2,4-triazol-1-yl]-oxomethyl]-(3-phenylpropyl)ammonium IUPAC Name: dimethyl-[3-methyl-4-(methylamino)-5-oxo-1,2,4-triazole-1-carbonyl]-(3-phenylpropyl)azanium Traditional Name: [5-keto-3-methyl-4-(methylamino)-1,2,4-triazole-1-carbonyl]-dimethyl-(3-phenylpropyl)ammonium Formula: C16H24N5O2+ MolecularWeight: 318.39406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)N1NC)C(=O)[N+](C)(C)CCCC2=CC=CC=C2

Isomeric SMILES

CC1=NN(C(=O)N1NC)C(=O)[N+](C)(C)CCCC2=CC=CC=C2

InChI

InChI=1S/C16H24N5O2/c1-13-18-20(15(22)19(13)17-2)16(23)21(3,4)12-8-11-14-9-6-5-7-10-14/h5-7,9-10,17H,8,11-12H2,1-4H3/q+1