2-(2,5-dimethylphenyl)sulfanyl-N-[(1R,2R)-1-pyrrolidin-1-ium-1-yl-1-thiophen-2-yl-propan-2-yl]ethanamide

Systemtic Name: 2-(2,5-dimethylphenyl)sulfanyl-N-[(1R,2R)-1-pyrrolidin-1-ium-1-yl-1-thiophen-2-yl-propan-2-yl]ethanamide Openeye Name: 2-(2,5-dimethylphenyl)sulfanyl-N-[(1R,2R)-1-methyl-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]acetamide CAS Name: 2-[(2,5-dimethylphenyl)thio]-N-[(1R,2R)-1-(1-pyrrolidin-1-iumyl)-1-thiophen-2-ylpropan-2-yl]acetamide IUPAC Name: 2-(2,5-dimethylphenyl)sulfanyl-N-[(1R,2R)-1-pyrrolidin-1-ium-1-yl-1-thiophen-2-ylpropan-2-yl]acetamide Traditional Name: 2-[(2,5-dimethylphenyl)thio]-N-[(1R,2R)-1-methyl-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]acetamide Formula: C21H29N2OS2+ MolecularWeight: 389.59776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCC(=O)NC(C)C(C2=CC=CS2)[NH+]3CCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCC(=O)N[C@H](C)[C@H](C2=CC=CS2)[NH+]3CCCC3

InChI

InChI=1S/C21H28N2OS2/c1-15-8-9-16(2)19(13-15)26-14-20(24)22-17(3)21(18-7-6-12-25-18)23-10-4-5-11-23/h6-9,12-13,17,21H,4-5,10-11,14H2,1-3H3,(H,22,24)/p+1/t17-,21-/m1/s1