2-(2,5-dimethylphenyl)sulfanyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]ethanamide

Systemtic Name: 2-(2,5-dimethylphenyl)sulfanyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]ethanamide Openeye Name: 2-(2,5-dimethylphenyl)sulfanyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]acetamide CAS Name: 2-[(2,5-dimethylphenyl)thio]-N-[(2S)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]acetamide IUPAC Name: 2-(2,5-dimethylphenyl)sulfanyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]acetamide Traditional Name: 2-[(2,5-dimethylphenyl)thio]-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]acetamide Formula: C20H27N2O2S2+ MolecularWeight: 391.57058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCC(=O)NCC(C2=CC=CS2)[NH+]3CCOCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCC(=O)NC[C@@H](C2=CC=CS2)[NH+]3CCOCC3

InChI

InChI=1S/C20H26N2O2S2/c1-15-5-6-16(2)19(12-15)26-14-20(23)21-13-17(18-4-3-11-25-18)22-7-9-24-10-8-22/h3-6,11-12,17H,7-10,13-14H2,1-2H3,(H,21,23)/p+1/t17-/m0/s1