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

Systemtic Name: N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-2-pyridin-4-ylsulfanyl-ethanamide Openeye Name: N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-2-(4-pyridylsulfanyl)acetamide CAS Name: N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]-2-(pyridin-4-ylthio)acetamide IUPAC Name: N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-2-pyridin-4-ylsulfanylacetamide Traditional Name: N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-2-(4-pyridylthio)acetamide Formula: C20H26N3OS+ MolecularWeight: 356.50494

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCC2=CC=CC=C2)NC(=O)CSC3=CC=NC=C3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCC2=CC=CC=C2)NC(=O)CSC3=CC=NC=C3

InChI

InChI=1S/C20H25N3OS/c24-20(16-25-19-8-11-21-12-9-19)22-18-7-4-13-23(15-18)14-10-17-5-2-1-3-6-17/h1-3,5-6,8-9,11-12,18H,4,7,10,13-16H2,(H,22,24)/p+1/t18-/m0/s1