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

Systemtic Name: dimethyl-[(2R)-3-methyl-1-[[3-(2-methylphenyl)-1-phenyl-pyrazol-4-yl]carbonylamino]butan-2-yl]azanium Openeye Name: dimethyl-[(1R)-2-methyl-1-[[[3-(o-tolyl)-1-phenyl-pyrazole-4-carbonyl]amino]methyl]propyl]ammonium CAS Name: dimethyl-[(2R)-3-methyl-1-[[[3-(2-methylphenyl)-1-phenyl-4-pyrazolyl]-oxomethyl]amino]butan-2-yl]ammonium IUPAC Name: dimethyl-[(2R)-3-methyl-1-[[3-(2-methylphenyl)-1-phenylpyrazole-4-carbonyl]amino]butan-2-yl]azanium Traditional Name: dimethyl-[(1R)-2-methyl-1-[[[3-(o-tolyl)-1-phenyl-pyrazole-4-carbonyl]amino]methyl]propyl]ammonium Formula: C24H31N4O+ MolecularWeight: 391.52914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN(C=C2C(=O)NCC(C(C)C)[NH+](C)C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1C2=NN(C=C2C(=O)NC[C@@H](C(C)C)[NH+](C)C)C3=CC=CC=C3

InChI

InChI=1S/C24H30N4O/c1-17(2)22(27(4)5)15-25-24(29)21-16-28(19-12-7-6-8-13-19)26-23(21)20-14-10-9-11-18(20)3/h6-14,16-17,22H,15H2,1-5H3,(H,25,29)/p+1/t22-/m0/s1