ethyl 4-[4-[5-[[(3S)-oxolan-3-yl]carbonylamino]pyrazol-1-yl]piperidin-1-ium-1-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[4-[5-[[(3S)-oxolan-3-yl]carbonylamino]pyrazol-1-yl]piperidin-1-ium-1-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[4-[5-[[(3S)-tetrahydrofuran-3-carbonyl]amino]pyrazol-1-yl]piperidin-1-ium-1-yl]piperidine-1-carboxylate CAS Name: 4-[4-[5-[[oxo-[(3S)-3-oxolanyl]methyl]amino]-1-pyrazolyl]-1-piperidin-1-iumyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[5-[[(3S)-oxolane-3-carbonyl]amino]pyrazol-1-yl]piperidin-1-ium-1-yl]piperidine-1-carboxylate Traditional Name: 4-[4-[5-[[(3S)-tetrahydrofuran-3-carbonyl]amino]pyrazol-1-yl]piperidin-1-ium-1-yl]piperidine-1-carboxylic acid ethyl ester Formula: C21H34N5O4+ MolecularWeight: 420.52576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4CCOC4

Isomeric SMILES

CCOC(=O)N1CCC(CC1)[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)[C@H]4CCOC4

InChI

InChI=1S/C21H33N5O4/c1-2-30-21(28)25-12-4-17(5-13-25)24-10-6-18(7-11-24)26-19(3-9-22-26)23-20(27)16-8-14-29-15-16/h3,9,16-18H,2,4-8,10-15H2,1H3,(H,23,27)/p+1/t16-/m0/s1