3-(furan-2-yl)-1-[(3S)-3-(pyrrolidin-1-ium-1-ylmethyl)piperidin-1-yl]propan-1-one

Systemtic Name: 3-(furan-2-yl)-1-[(3S)-3-(pyrrolidin-1-ium-1-ylmethyl)piperidin-1-yl]propan-1-one Openeye Name: 3-(2-furyl)-1-[(3S)-3-(pyrrolidin-1-ium-1-ylmethyl)-1-piperidyl]propan-1-one CAS Name: 3-(2-furanyl)-1-[(3S)-3-(1-pyrrolidin-1-iumylmethyl)-1-piperidinyl]-1-propanone IUPAC Name: 3-(furan-2-yl)-1-[(3S)-3-(pyrrolidin-1-ium-1-ylmethyl)piperidin-1-yl]propan-1-one Traditional Name: 3-(2-furyl)-1-[(3S)-3-(pyrrolidin-1-ium-1-ylmethyl)piperidino]propan-1-one Formula: C17H27N2O2+ MolecularWeight: 291.40848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2CCCN(C2)C(=O)CCC3=CC=CO3

Isomeric SMILES

C1CC[NH+](C1)C[C@H]2CCCN(C2)C(=O)CCC3=CC=CO3

InChI

InChI=1S/C17H26N2O2/c20-17(8-7-16-6-4-12-21-16)19-11-3-5-15(14-19)13-18-9-1-2-10-18/h4,6,12,15H,1-3,5,7-11,13-14H2/p+1/t15-/m1/s1