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

Systemtic Name: 1-[4-(phenylmethyl)piperazin-4-ium-1-yl]-3-[(3R)-1-(2-thiophen-2-ylethanoyl)piperidin-3-yl]propan-1-one Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-[(3R)-1-[2-(2-thienyl)acetyl]-3-piperidyl]propan-1-one CAS Name: 3-[(3R)-1-(1-oxo-2-thiophen-2-ylethyl)-3-piperidinyl]-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-[(3R)-1-(2-thiophen-2-ylacetyl)piperidin-3-yl]propan-1-one Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-[(3R)-1-[2-(2-thienyl)acetyl]-3-piperidyl]propan-1-one Formula: C25H34N3O2S+ MolecularWeight: 440.62136

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CC2=CC=CS2)CCC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)CC2=CC=CS2)CCC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H33N3O2S/c29-24(27-15-13-26(14-16-27)19-21-6-2-1-3-7-21)11-10-22-8-4-12-28(20-22)25(30)18-23-9-5-17-31-23/h1-3,5-7,9,17,22H,4,8,10-16,18-20H2/p+1/t22-/m1/s1