ethyl 4-[4-[5-(cyclopentylcarbonylamino)pyrazol-1-yl]piperidin-1-ium-1-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[4-[5-(cyclopentylcarbonylamino)pyrazol-1-yl]piperidin-1-ium-1-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[4-[5-(cyclopentanecarbonylamino)pyrazol-1-yl]piperidin-1-ium-1-yl]piperidine-1-carboxylate CAS Name: 4-[4-[5-[[cyclopentyl(oxo)methyl]amino]-1-pyrazolyl]-1-piperidin-1-iumyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[5-(cyclopentanecarbonylamino)pyrazol-1-yl]piperidin-1-ium-1-yl]piperidine-1-carboxylate Traditional Name: 4-[4-[5-(cyclopentanecarbonylamino)pyrazol-1-yl]piperidin-1-ium-1-yl]piperidine-1-carboxylic acid ethyl ester Formula: C22H36N5O3+ MolecularWeight: 418.55294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4CCCC4

Isomeric SMILES

CCOC(=O)N1CCC(CC1)[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4CCCC4

InChI

InChI=1S/C22H35N5O3/c1-2-30-22(29)26-15-8-18(9-16-26)25-13-10-19(11-14-25)27-20(7-12-23-27)24-21(28)17-5-3-4-6-17/h7,12,17-19H,2-6,8-11,13-16H2,1H3,(H,24,28)/p+1