(3S)-1-(1-cyclopentylpiperidin-1-ium-4-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide

Systemtic Name: (3S)-1-(1-cyclopentylpiperidin-1-ium-4-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide Openeye Name: (3S)-1-(1-cyclopentylpiperidin-1-ium-4-yl)-N-(2-pyridylmethyl)piperidine-3-carboxamide CAS Name: (3S)-1-(1-cyclopentyl-4-piperidin-1-iumyl)-N-(2-pyridinylmethyl)-3-piperidinecarboxamide IUPAC Name: (3S)-1-(1-cyclopentylpiperidin-1-ium-4-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide Traditional Name: (3S)-1-(1-cyclopentylpiperidin-1-ium-4-yl)-N-(2-pyridylmethyl)nipecotamide Formula: C22H35N4O+ MolecularWeight: 371.5395

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+]2CCC(CC2)N3CCCC(C3)C(=O)NCC4=CC=CC=N4

Isomeric SMILES

C1CCC(C1)[NH+]2CCC(CC2)N3CCC[C@@H](C3)C(=O)NCC4=CC=CC=N4

InChI

InChI=1S/C22H34N4O/c27-22(24-16-19-7-3-4-12-23-19)18-6-5-13-26(17-18)21-10-14-25(15-11-21)20-8-1-2-9-20/h3-4,7,12,18,20-21H,1-2,5-6,8-11,13-17H2,(H,24,27)/p+1/t18-/m0/s1