N-(2-phenylsulfanylethyl)-4-(pyrrolidin-1-ium-1-ylmethyl)benzamide

Systemtic Name: N-(2-phenylsulfanylethyl)-4-(pyrrolidin-1-ium-1-ylmethyl)benzamide Openeye Name: N-(2-phenylsulfanylethyl)-4-(pyrrolidin-1-ium-1-ylmethyl)benzamide CAS Name: N-[2-(phenylthio)ethyl]-4-(1-pyrrolidin-1-iumylmethyl)benzamide IUPAC Name: N-(2-phenylsulfanylethyl)-4-(pyrrolidin-1-ium-1-ylmethyl)benzamide Traditional Name: N-[2-(phenylthio)ethyl]-4-(pyrrolidin-1-ium-1-ylmethyl)benzamide Formula: C20H25N2OS+ MolecularWeight: 341.4903

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)C(=O)NCCSC3=CC=CC=C3

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)C(=O)NCCSC3=CC=CC=C3

InChI

InChI=1S/C20H24N2OS/c23-20(21-12-15-24-19-6-2-1-3-7-19)18-10-8-17(9-11-18)16-22-13-4-5-14-22/h1-3,6-11H,4-5,12-16H2,(H,21,23)/p+1