N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-2-pyridin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-2-pyridin-2-ylsulfanyl-ethanamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-(2-pyridylsulfanyl)acetamide CAS Name: N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]-2-(2-pyridinylthio)acetamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-pyridin-2-ylsulfanylacetamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-(2-pyridylthio)acetamide Formula: C18H22N3OS+ MolecularWeight: 328.45178

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1NC(=O)CSC2=CC=CC=N2)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](C[C@H]1NC(=O)CSC2=CC=CC=N2)CC3=CC=CC=C3

InChI

InChI=1S/C18H21N3OS/c22-17(14-23-18-8-4-5-10-19-18)20-16-9-11-21(13-16)12-15-6-2-1-3-7-15/h1-8,10,16H,9,11-14H2,(H,20,22)/p+1/t16-/m0/s1