(2R)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanoate

Systemtic Name: (2R)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanoate Openeye Name: (2R)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetate CAS Name: (2R)-2-[(3S)-3-methyl-1-piperidin-1-iumyl]-2-(1,3,5-trimethyl-4-pyrazolyl)acetate IUPAC Name: (2R)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetate Traditional Name: (2R)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetate Formula: C14H23N3O2 MolecularWeight: 265.35132

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)C(C2=C(N(N=C2C)C)C)C(=O)[O-]

Isomeric SMILES

C[C@H]1CCC[NH+](C1)[C@H](C2=C(N(N=C2C)C)C)C(=O)[O-]

InChI

InChI=1S/C14H23N3O2/c1-9-6-5-7-17(8-9)13(14(18)19)12-10(2)15-16(4)11(12)3/h9,13H,5-8H2,1-4H3,(H,18,19)/t9-,13+/m0/s1