2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]-N-[(1S)-1-thiophen-2-ylethyl]ethanamide

Systemtic Name: 2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]-N-[(1S)-1-thiophen-2-ylethyl]ethanamide Openeye Name: 2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]-N-[(1S)-1-(2-thienyl)ethyl]acetamide CAS Name: 2-[4-(2-pyridinylmethyl)-1-piperazin-1-iumyl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide IUPAC Name: 2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide Traditional Name: 2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]-N-[(1S)-1-(2-thienyl)ethyl]acetamide Formula: C18H25N4OS+ MolecularWeight: 345.4823

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)NC(=O)C[NH+]2CCN(CC2)CC3=CC=CC=N3

Isomeric SMILES

C[C@@H](C1=CC=CS1)NC(=O)C[NH+]2CCN(CC2)CC3=CC=CC=N3

InChI

InChI=1S/C18H24N4OS/c1-15(17-6-4-12-24-17)20-18(23)14-22-10-8-21(9-11-22)13-16-5-2-3-7-19-16/h2-7,12,15H,8-11,13-14H2,1H3,(H,20,23)/p+1/t15-/m0/s1