N-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylpropyl]-2-thiophen-2-yl-ethanamide

Systemtic Name: N-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylpropyl]-2-thiophen-2-yl-ethanamide Openeye Name: N-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylpropyl]-2-(2-thienyl)acetamide CAS Name: N-[3-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]propyl]-2-thiophen-2-ylacetamide IUPAC Name: N-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylpropyl]-2-thiophen-2-ylacetamide Traditional Name: N-[3-(4-pyridin-1-ium-2-ylpiperazino)sulfonylpropyl]-2-(2-thienyl)acetamide Formula: C18H25N4O3S2+ MolecularWeight: 409.5461

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)S(=O)(=O)CCCNC(=O)CC3=CC=CS3

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)S(=O)(=O)CCCNC(=O)CC3=CC=CS3

InChI

InChI=1S/C18H24N4O3S2/c23-18(15-16-5-3-13-26-16)20-8-4-14-27(24,25)22-11-9-21(10-12-22)17-6-1-2-7-19-17/h1-3,5-7,13H,4,8-12,14-15H2,(H,20,23)/p+1