1-[4-[3-[[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]methyl]phenoxy]piperidin-1-yl]-2-thiophen-3-yl-ethanone

Systemtic Name: 1-[4-[3-[[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]methyl]phenoxy]piperidin-1-yl]-2-thiophen-3-yl-ethanone Openeye Name: 1-[4-[3-[[4-(3-pyridylmethyl)piperazin-4-ium-1-yl]methyl]phenoxy]-1-piperidyl]-2-(3-thienyl)ethanone CAS Name: 1-[4-[3-[[4-(3-pyridinylmethyl)-1-piperazin-4-iumyl]methyl]phenoxy]-1-piperidinyl]-2-(3-thiophenyl)ethanone IUPAC Name: 1-[4-[3-[[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]methyl]phenoxy]piperidin-1-yl]-2-thiophen-3-ylethanone Traditional Name: 1-[4-[3-[[4-(3-pyridylmethyl)piperazin-4-ium-1-yl]methyl]phenoxy]piperidino]-2-(3-thienyl)ethanone Formula: C28H35N4O2S+ MolecularWeight: 491.6681

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC2=CC=CC(=C2)CN3CC[NH+](CC3)CC4=CN=CC=C4)C(=O)CC5=CSC=C5

Isomeric SMILES

C1CN(CCC1OC2=CC=CC(=C2)CN3CC[NH+](CC3)CC4=CN=CC=C4)C(=O)CC5=CSC=C5

InChI

InChI=1S/C28H34N4O2S/c33-28(18-24-8-16-35-22-24)32-10-6-26(7-11-32)34-27-5-1-3-23(17-27)20-30-12-14-31(15-13-30)21-25-4-2-9-29-19-25/h1-5,8-9,16-17,19,22,26H,6-7,10-15,18,20-21H2/p+1