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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N4O/c1-4-11-19(2)25-23(29)18-27(3)16-21-17-28(22-14-9-6-10-15-22)26-24(21)20-12-7-5-8-13-20/h5-10,12-15,17,19H,4,11,16,18H2,1-3H3,(H,25,29)/p+1/t19-/m0/s1