(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-[2-oxidanylidene-2-(propylcarbamoylamino)ethyl]azanium

Systemtic Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-[2-oxidanylidene-2-(propylcarbamoylamino)ethyl]azanium Openeye Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-[2-oxo-2-(propylcarbamoylamino)ethyl]ammonium CAS Name: (3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl-methyl-[2-oxo-2-[[oxo(propylamino)methyl]amino]ethyl]ammonium IUPAC Name: (3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methyl-[2-oxo-2-(propylcarbamoylamino)ethyl]azanium Traditional Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-[2-keto-2-(propylcarbamoylamino)ethyl]-methyl-ammonium Formula: C19H28N5O2+ MolecularWeight: 358.45792

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC(=O)C[NH+](C)CC1=C(N(N=C1C)C2=CC=CC=C2)C

Isomeric SMILES

CCCNC(=O)NC(=O)C[NH+](C)CC1=C(N(N=C1C)C2=CC=CC=C2)C

InChI

InChI=1S/C19H27N5O2/c1-5-11-20-19(26)21-18(25)13-23(4)12-17-14(2)22-24(15(17)3)16-9-7-6-8-10-16/h6-10H,5,11-13H2,1-4H3,(H2,20,21,25,26)/p+1