2-(2,4-dimethylphenyl)sulfanyl-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]ethanamide

Systemtic Name: 2-(2,4-dimethylphenyl)sulfanyl-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]ethanamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-(2,4-dimethylphenyl)sulfanyl-acetamide CAS Name: 2-[(2,4-dimethylphenyl)thio]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]acetamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-(2,4-dimethylphenyl)sulfanylacetamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-[(2,4-dimethylphenyl)thio]acetamide Formula: C21H27N2OS+ MolecularWeight: 355.51688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCC(=O)NC2CC[NH+](C2)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)SCC(=O)N[C@H]2CC[NH+](C2)CC3=CC=CC=C3)C

InChI

InChI=1S/C21H26N2OS/c1-16-8-9-20(17(2)12-16)25-15-21(24)22-19-10-11-23(14-19)13-18-6-4-3-5-7-18/h3-9,12,19H,10-11,13-15H2,1-2H3,(H,22,24)/p+1/t19-/m0/s1