[(2S)-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]azanium

Systemtic Name: [(2S)-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]azanium Openeye Name: [(1S)-1-carbamoyl-3-methyl-butyl]-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]ammonium CAS Name: [(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]ammonium IUPAC Name: [(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]azanium Traditional Name: [(1S)-1-carbamoyl-3-methyl-butyl]-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]ammonium Formula: C22H27N4O+ MolecularWeight: 363.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N)[NH2+]CC1=C(NN=C1)C2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)C[C@@H](C(=O)N)[NH2+]CC1=C(NN=C1)C2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H26N4O/c1-15(2)12-20(22(23)27)24-13-19-14-25-26-21(19)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11,14-15,20,24H,12-13H2,1-2H3,(H2,23,27)(H,25,26)/p+1/t20-/m0/s1