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

Systemtic Name: 1-[4-(phenylmethyl)piperazin-4-ium-1-yl]-3-[(3R)-1-thiophen-3-ylcarbonylpiperidin-3-yl]propan-1-one Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-[(3R)-1-(thiophene-3-carbonyl)-3-piperidyl]propan-1-one CAS Name: 3-[(3R)-1-[oxo(3-thiophenyl)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-3-carbonyl)piperidin-3-yl]propan-1-one Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-[(3R)-1-(3-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=CSC=C2)CCC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

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

InChI

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