3-[(3R)-1-(furan-2-ylmethyl)piperidin-1-ium-3-yl]-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-[(3R)-1-(furan-2-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-(2-furylmethyl)piperidin-1-ium-3-yl]propan-1-one CAS Name: 3-[(3R)-1-(2-furanylmethyl)-3-piperidin-1-iumyl]-1-[4-(phenylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-3-[(3R)-1-(furan-2-ylmethyl)piperidin-1-ium-3-yl]propan-1-one Traditional Name: 1-(4-benzylpiperazino)-3-[(3R)-1-(2-furfuryl)piperidin-1-ium-3-yl]propan-1-one Formula: C24H34N3O2+ MolecularWeight: 396.54566

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CO2)CCC(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CO2)CCC(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

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