(2R)-2-[[(5S)-3-(4-dimethylaminophenyl)-4,5-dihydro-1H-pyrazol-5-yl]azaniumyl]-3-methyl-butanoate

Systemtic Name: (2R)-2-[[(5S)-3-(4-dimethylaminophenyl)-4,5-dihydro-1H-pyrazol-5-yl]azaniumyl]-3-methyl-butanoate Openeye Name: (2R)-2-[[(5S)-3-(4-dimethylaminophenyl)-4,5-dihydro-1H-pyrazol-5-yl]ammonio]-3-methyl-butanoate CAS Name: (2R)-2-[[(5S)-3-(4-dimethylaminophenyl)-4,5-dihydro-1H-pyrazol-5-yl]ammonio]-3-methylbutanoate IUPAC Name: (2R)-2-[[(5S)-3-(4-dimethylaminophenyl)-4,5-dihydro-1H-pyrazol-5-yl]azaniumyl]-3-methylbutanoate Traditional Name: (2R)-2-[[(3S)-5-(4-dimethylaminophenyl)-2-pyrazolin-3-yl]ammonio]-3-methyl-butyrate Formula: C16H24N4O2 MolecularWeight: 304.38736

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])[NH2+]C1CC(=NN1)C2=CC=C(C=C2)N(C)C

Isomeric SMILES

CC(C)[C@H](C(=O)[O-])[NH2+][C@@H]1CC(=NN1)C2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C16H24N4O2/c1-10(2)15(16(21)22)17-14-9-13(18-19-14)11-5-7-12(8-6-11)20(3)4/h5-8,10,14-15,17,19H,9H2,1-4H3,(H,21,22)/t14-,15+/m0/s1