4-(1,3-dithiolan-2-yl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide

Systemtic Name: 4-(1,3-dithiolan-2-yl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide Openeye Name: 4-(1,3-dithiolan-2-yl)-N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide CAS Name: 4-(1,3-dithiolan-2-yl)-N-[(2S)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]benzamide IUPAC Name: 4-(1,3-dithiolan-2-yl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]benzamide Traditional Name: 4-(1,3-dithiolan-2-yl)-N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide Formula: C20H25N2O2S2+ MolecularWeight: 389.5547

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)C2=CC=C(C=C2)C3SCCS3)C4=CC=CO4

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)C2=CC=C(C=C2)C3SCCS3)C4=CC=CO4

InChI

InChI=1S/C20H24N2O2S2/c23-19(15-5-7-16(8-6-15)20-25-12-13-26-20)21-14-17(18-4-3-11-24-18)22-9-1-2-10-22/h3-8,11,17,20H,1-2,9-10,12-14H2,(H,21,23)/p+1/t17-/m0/s1