ethyl (3S)-1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-[(2-cyclopentyl-3-pyrazolyl)amino]-2-oxoethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-keto-ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C18H29N4O3+ MolecularWeight: 349.44786

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC(=O)NC2=CC=NN2C3CCCC3

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC(=O)NC2=CC=NN2C3CCCC3

InChI

InChI=1S/C18H28N4O3/c1-2-25-18(24)14-6-5-11-21(12-14)13-17(23)20-16-9-10-19-22(16)15-7-3-4-8-15/h9-10,14-15H,2-8,11-13H2,1H3,(H,20,23)/p+1/t14-/m0/s1