N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]-4-thiophen-2-yl-butanamide

Systemtic Name: N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]-4-thiophen-2-yl-butanamide Openeye Name: N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]-4-(2-thienyl)butanamide CAS Name: N-[2-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]ethyl]-4-thiophen-2-ylbutanamide IUPAC Name: N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]-4-thiophen-2-ylbutanamide Traditional Name: N-[2-(4-pyridin-1-ium-2-ylpiperazino)sulfonylethyl]-4-(2-thienyl)butyramide Formula: C19H27N4O3S2+ MolecularWeight: 423.57268

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)S(=O)(=O)CCNC(=O)CCCC3=CC=CS3

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)S(=O)(=O)CCNC(=O)CCCC3=CC=CS3

InChI

InChI=1S/C19H26N4O3S2/c24-19(8-3-5-17-6-4-15-27-17)21-10-16-28(25,26)23-13-11-22(12-14-23)18-7-1-2-9-20-18/h1-2,4,6-7,9,15H,3,5,8,10-14,16H2,(H,21,24)/p+1