(2R)-2-[[(3R)-5-(4-dimethylaminophenyl)-2-ethanoyl-3,4-dihydropyrazol-3-yl]azaniumyl]-3-phenyl-propanoate

Systemtic Name: (2R)-2-[[(3R)-5-(4-dimethylaminophenyl)-2-ethanoyl-3,4-dihydropyrazol-3-yl]azaniumyl]-3-phenyl-propanoate Openeye Name: (2R)-2-[[(3R)-2-acetyl-5-(4-dimethylaminophenyl)-3,4-dihydropyrazol-3-yl]ammonio]-3-phenyl-propanoate CAS Name: (2R)-2-[[(3R)-2-acetyl-5-(4-dimethylaminophenyl)-3,4-dihydropyrazol-3-yl]ammonio]-3-phenylpropanoate IUPAC Name: (2R)-2-[[(3R)-2-acetyl-5-(4-dimethylaminophenyl)-3,4-dihydropyrazol-3-yl]azaniumyl]-3-phenylpropanoate Traditional Name: (2R)-2-[[(3R)-2-acetyl-5-(4-dimethylaminophenyl)-2-pyrazolin-3-yl]ammonio]-3-phenyl-propionate Formula: C22H26N4O3 MolecularWeight: 394.46684

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(CC(=N1)C2=CC=C(C=C2)N(C)C)[NH2+]C(CC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CC(=O)N1[C@H](CC(=N1)C2=CC=C(C=C2)N(C)C)[NH2+][C@H](CC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C22H26N4O3/c1-15(27)26-21(23-20(22(28)29)13-16-7-5-4-6-8-16)14-19(24-26)17-9-11-18(12-10-17)25(2)3/h4-12,20-21,23H,13-14H2,1-3H3,(H,28,29)/t20-,21-/m1/s1