3-[(3R)-1-(furan-3-ylmethyl)piperidin-1-ium-3-yl]-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-[(3R)-1-(furan-3-ylmethyl)piperidin-1-ium-3-yl]-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-3-[(3R)-1-(3-furylmethyl)piperidin-1-ium-3-yl]propan-1-one CAS Name: 3-[(3R)-1-(3-furanylmethyl)-3-piperidin-1-iumyl]-1-[4-(phenylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-3-[(3R)-1-(furan-3-ylmethyl)piperidin-1-ium-3-yl]propan-1-one Traditional Name: 1-(4-benzylpiperazino)-3-[(3R)-1-(3-furfuryl)piperidin-1-ium-3-yl]propan-1-one Formula: C24H34N3O2+ MolecularWeight: 396.54566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=COC=C2)CCC(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=COC=C2)CCC(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H33N3O2/c28-24(27-14-12-25(13-15-27)17-21-5-2-1-3-6-21)9-8-22-7-4-11-26(18-22)19-23-10-16-29-20-23/h1-3,5-6,10,16,20,22H,4,7-9,11-15,17-19H2/p+1/t22-/m1/s1