1-[4-(5-azanylpyridin-1-ium-2-yl)piperazin-1-yl]-2-thiophen-2-yl-ethanone

Systemtic Name: 1-[4-(5-azanylpyridin-1-ium-2-yl)piperazin-1-yl]-2-thiophen-2-yl-ethanone Openeye Name: 1-[4-(5-aminopyridin-1-ium-2-yl)piperazin-1-yl]-2-(2-thienyl)ethanone CAS Name: 1-[4-(5-amino-2-pyridin-1-iumyl)-1-piperazinyl]-2-thiophen-2-ylethanone IUPAC Name: 1-[4-(5-aminopyridin-1-ium-2-yl)piperazin-1-yl]-2-thiophen-2-ylethanone Traditional Name: 1-[4-(5-aminopyridin-1-ium-2-yl)piperazino]-2-(2-thienyl)ethanone Formula: C15H19N4OS+ MolecularWeight: 303.40256

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=[NH+]C=C(C=C2)N)C(=O)CC3=CC=CS3

Isomeric SMILES

C1CN(CCN1C2=[NH+]C=C(C=C2)N)C(=O)CC3=CC=CS3

InChI

InChI=1S/C15H18N4OS/c16-12-3-4-14(17-11-12)18-5-7-19(8-6-18)15(20)10-13-2-1-9-21-13/h1-4,9,11H,5-8,10,16H2/p+1