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

Systemtic Name: 1-[4-(phenylmethyl)piperazin-4-ium-1-yl]-3-[(3R)-1-thiophen-2-ylcarbonylpiperidin-3-yl]propan-1-one Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-[(3R)-1-(thiophene-2-carbonyl)-3-piperidyl]propan-1-one CAS Name: 3-[(3R)-1-[oxo(thiophen-2-yl)methyl]-3-piperidinyl]-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-[(3R)-1-(thiophene-2-carbonyl)piperidin-3-yl]propan-1-one Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-[(3R)-1-(2-thenoyl)-3-piperidyl]propan-1-one Formula: C24H32N3O2S+ MolecularWeight: 426.59478

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=CS2)CCC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=CC=CS2)CCC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H31N3O2S/c28-23(26-15-13-25(14-16-26)18-20-6-2-1-3-7-20)11-10-21-8-4-12-27(19-21)24(29)22-9-5-17-30-22/h1-3,5-7,9,17,21H,4,8,10-16,18-19H2/p+1/t21-/m1/s1