N-[2-(phenylmethylsulfanyl)ethyl]-2-pyrrolidin-1-yl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-[2-(phenylmethylsulfanyl)ethyl]-2-pyrrolidin-1-yl-pyridin-1-ium-3-carboxamide Openeye Name: N-(2-benzylsulfanylethyl)-2-pyrrolidin-1-yl-pyridin-1-ium-3-carboxamide CAS Name: N-[2-(phenylmethylthio)ethyl]-2-(1-pyrrolidinyl)-3-pyridin-1-iumcarboxamide IUPAC Name: N-(2-benzylsulfanylethyl)-2-pyrrolidin-1-ylpyridin-1-ium-3-carboxamide Traditional Name: N-[2-(benzylthio)ethyl]-2-pyrrolidino-pyridin-1-ium-3-carboxamide Formula: C19H24N3OS+ MolecularWeight: 342.47836

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=CC=[NH+]2)C(=O)NCCSCC3=CC=CC=C3

Isomeric SMILES

C1CCN(C1)C2=C(C=CC=[NH+]2)C(=O)NCCSCC3=CC=CC=C3

InChI

InChI=1S/C19H23N3OS/c23-19(21-11-14-24-15-16-7-2-1-3-8-16)17-9-6-10-20-18(17)22-12-4-5-13-22/h1-3,6-10H,4-5,11-15H2,(H,21,23)/p+1