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

Systemtic Name: 1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-3-[(3R)-1-thiophen-2-ylcarbonylpiperidin-3-yl]propan-1-one Openeye Name: 1-(4-pyridin-1-ium-2-ylpiperazin-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-(2-pyridin-1-iumyl)-1-piperazinyl]-1-propanone IUPAC Name: 1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-3-[(3R)-1-(thiophene-2-carbonyl)piperidin-3-yl]propan-1-one Traditional Name: 1-(4-pyridin-1-ium-2-ylpiperazino)-3-[(3R)-1-(2-thenoyl)-3-piperidyl]propan-1-one Formula: C22H29N4O2S+ MolecularWeight: 413.55626

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=CS2)CCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=CC=CS2)CCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C22H28N4O2S/c27-21(25-14-12-24(13-15-25)20-7-1-2-10-23-20)9-8-18-5-3-11-26(17-18)22(28)19-6-4-16-29-19/h1-2,4,6-7,10,16,18H,3,5,8-9,11-15,17H2/p+1/t18-/m1/s1