[4-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: [4-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [4-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone CAS Name: [4-[[(1-oxido-2-pyridin-1-iumyl)thio]methyl]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]phenyl]-pyrrolidin-1-ylmethanone Traditional Name: [4-[[(1-oxidopyridin-1-ium-2-yl)thio]methyl]phenyl]-pyrrolidino-methanone Formula: C17H18N2O2S MolecularWeight: 314.40202

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=C(C=C2)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=C(C=C2)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C17H18N2O2S/c20-17(18-10-3-4-11-18)15-8-6-14(7-9-15)13-22-16-5-1-2-12-19(16)21/h1-2,5-9,12H,3-4,10-11,13H2