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

Systemtic Name: (3S)-1-(furan-3-ylmethyl)-N-[4-(furan-2-yl)phenyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-(3-furylmethyl)-N-[4-(2-furyl)phenyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-(3-furanylmethyl)-N-[4-(2-furanyl)phenyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-(furan-3-ylmethyl)-N-[4-(furan-2-yl)phenyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-(3-furfuryl)-N-[4-(2-furyl)phenyl]piperidin-1-ium-3-carboxamide Formula: C21H23N2O3+ MolecularWeight: 351.41892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=COC=C2)C(=O)NC3=CC=C(C=C3)C4=CC=CO4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=COC=C2)C(=O)NC3=CC=C(C=C3)C4=CC=CO4

InChI

InChI=1S/C21H22N2O3/c24-21(18-3-1-10-23(14-18)13-16-9-12-25-15-16)22-19-7-5-17(6-8-19)20-4-2-11-26-20/h2,4-9,11-12,15,18H,1,3,10,13-14H2,(H,22,24)/p+1/t18-/m0/s1