2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-[(1R)-1-thiophen-2-ylethyl]ethanamide

Systemtic Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-[(1R)-1-thiophen-2-ylethyl]ethanamide Openeye Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-[(1R)-1-(2-thienyl)ethyl]acetamide CAS Name: 2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide IUPAC Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide Traditional Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-[(1R)-1-(2-thienyl)ethyl]acetamide Formula: C17H24N4OS+2 MolecularWeight: 332.46366

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

C[C@H](C1=CC=CS1)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C17H22N4OS/c1-14(15-5-4-12-23-15)19-17(22)13-20-8-10-21(11-9-20)16-6-2-3-7-18-16/h2-7,12,14H,8-11,13H2,1H3,(H,19,22)/p+2/t14-/m1/s1