(1,3-diphenylpyrazol-4-yl)methyl-methyl-[2-oxidanylidene-2-(pentan-3-ylamino)ethyl]azanium

Systemtic Name: (1,3-diphenylpyrazol-4-yl)methyl-methyl-[2-oxidanylidene-2-(pentan-3-ylamino)ethyl]azanium Openeye Name: (1,3-diphenylpyrazol-4-yl)methyl-[2-(1-ethylpropylamino)-2-oxo-ethyl]-methyl-ammonium CAS Name: (1,3-diphenyl-4-pyrazolyl)methyl-methyl-[2-oxo-2-(pentan-3-ylamino)ethyl]ammonium IUPAC Name: (1,3-diphenylpyrazol-4-yl)methyl-methyl-[2-oxo-2-(pentan-3-ylamino)ethyl]azanium Traditional Name: (1,3-diphenylpyrazol-4-yl)methyl-[2-(1-ethylpropylamino)-2-keto-ethyl]-methyl-ammonium Formula: C24H31N4O+ MolecularWeight: 391.52914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)C[NH+](C)CC1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCC(CC)NC(=O)C[NH+](C)CC1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C24H30N4O/c1-4-21(5-2)25-23(29)18-27(3)16-20-17-28(22-14-10-7-11-15-22)26-24(20)19-12-8-6-9-13-19/h6-15,17,21H,4-5,16,18H2,1-3H3,(H,25,29)/p+1