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

Systemtic Name: N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide Openeye Name: N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-[(2-methylthiazol-4-yl)methylsulfanyl]benzamide CAS Name: N-[(2S)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-4-[(2-methyl-4-thiazolyl)methylthio]benzamide IUPAC Name: N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide Traditional Name: N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-[(2-methylthiazol-4-yl)methylthio]benzamide Formula: C22H26N3O2S2+ MolecularWeight: 428.59074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CSC2=CC=C(C=C2)C(=O)NCC(C3=CC=CO3)[NH+]4CCCC4

Isomeric SMILES

CC1=NC(=CS1)CSC2=CC=C(C=C2)C(=O)NC[C@@H](C3=CC=CO3)[NH+]4CCCC4

InChI

InChI=1S/C22H25N3O2S2/c1-16-24-18(14-28-16)15-29-19-8-6-17(7-9-19)22(26)23-13-20(21-5-4-12-27-21)25-10-2-3-11-25/h4-9,12,14,20H,2-3,10-11,13,15H2,1H3,(H,23,26)/p+1/t20-/m0/s1