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

Systemtic Name: (3S)-1-(1-cyclobutylpiperidin-1-ium-4-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide Openeye Name: (3S)-1-(1-cyclobutylpiperidin-1-ium-4-yl)-N-(2-pyridylmethyl)piperidine-3-carboxamide CAS Name: (3S)-1-(1-cyclobutyl-4-piperidin-1-iumyl)-N-(2-pyridinylmethyl)-3-piperidinecarboxamide IUPAC Name: (3S)-1-(1-cyclobutylpiperidin-1-ium-4-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide Traditional Name: (3S)-1-(1-cyclobutylpiperidin-1-ium-4-yl)-N-(2-pyridylmethyl)nipecotamide Formula: C21H33N4O+ MolecularWeight: 357.51292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)[NH+]2CCC(CC2)N3CCCC(C3)C(=O)NCC4=CC=CC=N4

Isomeric SMILES

C1C[C@@H](CN(C1)C2CC[NH+](CC2)C3CCC3)C(=O)NCC4=CC=CC=N4

InChI

InChI=1S/C21H32N4O/c26-21(23-15-18-6-1-2-11-22-18)17-5-4-12-25(16-17)20-9-13-24(14-10-20)19-7-3-8-19/h1-2,6,11,17,19-20H,3-5,7-10,12-16H2,(H,23,26)/p+1/t17-/m0/s1