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

Systemtic Name: 1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]-2-thiophen-3-yl-ethanone Openeye Name: 1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]-2-(3-thienyl)ethanone CAS Name: 1-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]-2-(3-thiophenyl)ethanone IUPAC Name: 1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]-2-thiophen-3-ylethanone Traditional Name: 1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]-2-(3-thienyl)ethanone Formula: C16H20N3OS+ MolecularWeight: 302.4145

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)CC3=CSC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)CC3=CSC=C3

InChI

InChI=1S/C16H19N3OS/c20-16(11-15-3-10-21-13-15)19-8-6-18(7-9-19)12-14-1-4-17-5-2-14/h1-5,10,13H,6-9,11-12H2/p+1