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

Systemtic Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-2-pyridin-4-ylsulfanyl-ethanamide Openeye Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-2-(4-pyridylsulfanyl)acetamide CAS Name: N-[(3S)-1-cycloheptyl-3-piperidin-1-iumyl]-2-(pyridin-4-ylthio)acetamide IUPAC Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-2-pyridin-4-ylsulfanylacetamide Traditional Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-2-(4-pyridylthio)acetamide Formula: C19H30N3OS+ MolecularWeight: 348.526

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)[NH+]2CCCC(C2)NC(=O)CSC3=CC=NC=C3

Isomeric SMILES

C1CCCC(CC1)[NH+]2CCC[C@@H](C2)NC(=O)CSC3=CC=NC=C3

InChI

InChI=1S/C19H29N3OS/c23-19(15-24-18-9-11-20-12-10-18)21-16-6-5-13-22(14-16)17-7-3-1-2-4-8-17/h9-12,16-17H,1-8,13-15H2,(H,21,23)/p+1/t16-/m0/s1