N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-2-pyridin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-2-pyridin-2-ylsulfanyl-ethanamide Openeye Name: N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-2-(2-pyridylsulfanyl)acetamide CAS Name: N-[(3S)-1-(1-methyl-4-piperidin-1-iumyl)-3-piperidin-1-iumyl]-2-(2-pyridinylthio)acetamide IUPAC Name: N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-2-pyridin-2-ylsulfanylacetamide Traditional Name: N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-2-(2-pyridylthio)acetamide Formula: C18H30N4OS+2 MolecularWeight: 350.522

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+]2CCCC(C2)NC(=O)CSC3=CC=CC=N3

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+]2CCC[C@@H](C2)NC(=O)CSC3=CC=CC=N3

InChI

InChI=1S/C18H28N4OS/c1-21-11-7-16(8-12-21)22-10-4-5-15(13-22)20-17(23)14-24-18-6-2-3-9-19-18/h2-3,6,9,15-16H,4-5,7-8,10-14H2,1H3,(H,20,23)/p+2/t15-/m0/s1