dimethyl-[(2R)-3-methyl-1-[[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]carbonylamino]butan-2-yl]azanium

Systemtic Name: dimethyl-[(2R)-3-methyl-1-[[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]carbonylamino]butan-2-yl]azanium Openeye Name: [(1R)-1-[[[1-benzyl-3-(3-pyridyl)pyrazole-4-carbonyl]amino]methyl]-2-methyl-propyl]-dimethyl-ammonium CAS Name: dimethyl-[(2R)-3-methyl-1-[[oxo-[1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolyl]methyl]amino]butan-2-yl]ammonium IUPAC Name: [(2R)-1-[(1-benzyl-3-pyridin-3-ylpyrazole-4-carbonyl)amino]-3-methylbutan-2-yl]-dimethylazanium Traditional Name: [(1R)-1-[[[1-benzyl-3-(3-pyridyl)pyrazole-4-carbonyl]amino]methyl]-2-methyl-propyl]-dimethyl-ammonium Formula: C23H30N5O+ MolecularWeight: 392.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNC(=O)C1=CN(N=C1C2=CN=CC=C2)CC3=CC=CC=C3)[NH+](C)C

Isomeric SMILES

CC(C)[C@H](CNC(=O)C1=CN(N=C1C2=CN=CC=C2)CC3=CC=CC=C3)[NH+](C)C

InChI

InChI=1S/C23H29N5O/c1-17(2)21(27(3)4)14-25-23(29)20-16-28(15-18-9-6-5-7-10-18)26-22(20)19-11-8-12-24-13-19/h5-13,16-17,21H,14-15H2,1-4H3,(H,25,29)/p+1/t21-/m0/s1