ethyl (3S)-1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C20H28N3O2+ MolecularWeight: 342.45522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC2=C(NN=C2)C3=CC(=C(C=C3)C)C

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC2=C(NN=C2)C3=CC(=C(C=C3)C)C

InChI

InChI=1S/C20H27N3O2/c1-4-25-20(24)17-6-5-9-23(12-17)13-18-11-21-22-19(18)16-8-7-14(2)15(3)10-16/h7-8,10-11,17H,4-6,9,12-13H2,1-3H3,(H,21,22)/p+1/t17-/m0/s1