2-(3,4-dimethylphenyl)sulfanyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethanamide

Systemtic Name: 2-(3,4-dimethylphenyl)sulfanyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethanamide Openeye Name: 2-(3,4-dimethylphenyl)sulfanyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]acetamide CAS Name: 2-[(3,4-dimethylphenyl)thio]-N-[4-(1-pyrrolidin-1-iumylmethyl)phenyl]acetamide IUPAC Name: 2-(3,4-dimethylphenyl)sulfanyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]acetamide Traditional Name: 2-[(3,4-dimethylphenyl)thio]-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]acetamide Formula: C21H27N2OS+ MolecularWeight: 355.51688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCC(=O)NC2=CC=C(C=C2)C[NH+]3CCCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCC(=O)NC2=CC=C(C=C2)C[NH+]3CCCC3)C

InChI

InChI=1S/C21H26N2OS/c1-16-5-10-20(13-17(16)2)25-15-21(24)22-19-8-6-18(7-9-19)14-23-11-3-4-12-23/h5-10,13H,3-4,11-12,14-15H2,1-2H3,(H,22,24)/p+1