(3S)-1-[1-(furan-2-ylmethyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[1-(furan-2-ylmethyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[1-(2-furylmethyl)-4-piperidyl]-N-(2-pyridylmethyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[1-(2-furanylmethyl)-4-piperidinyl]-N-(2-pyridinylmethyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[1-(furan-2-ylmethyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[1-(2-furfuryl)-4-piperidyl]-N-(2-pyridylmethyl)piperidin-1-ium-3-carboxamide Formula: C22H31N4O2+ MolecularWeight: 383.50714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CCN(CC2)CC3=CC=CO3)C(=O)NCC4=CC=CC=N4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CCN(CC2)CC3=CC=CO3)C(=O)NCC4=CC=CC=N4

InChI

InChI=1S/C22H30N4O2/c27-22(24-15-19-6-1-2-10-23-19)18-5-3-11-26(16-18)20-8-12-25(13-9-20)17-21-7-4-14-28-21/h1-2,4,6-7,10,14,18,20H,3,5,8-9,11-13,15-17H2,(H,24,27)/p+1/t18-/m0/s1