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

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide Openeye Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-[(2-methylthiazol-4-yl)methylsulfanyl]benzamide CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-4-[(2-methyl-4-thiazolyl)methylthio]benzamide IUPAC Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide Traditional Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-[(2-methylthiazol-4-yl)methylthio]benzamide Formula: C25H30N3O2S2+ MolecularWeight: 468.6546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O2S2/c1-18-27-21(16-31-18)17-32-23-11-7-20(8-12-23)25(29)26-15-24(28-13-3-4-14-28)19-5-9-22(30-2)10-6-19/h5-12,16,24H,3-4,13-15,17H2,1-2H3,(H,26,29)/p+1/t24-/m0/s1