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

Systemtic Name: 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]ethanamide Openeye Name: 2-(4-bromo-2,5-dimethyl-phenyl)sulfanyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]acetamide CAS Name: 2-[(4-bromo-2,5-dimethylphenyl)thio]-N-[(2S)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]acetamide IUPAC Name: 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]acetamide Traditional Name: 2-[(4-bromo-2,5-dimethyl-phenyl)thio]-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]acetamide Formula: C20H26BrN2O2S2+ MolecularWeight: 470.46664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)NCC(C2=CC=CS2)[NH+]3CCOCC3

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)NC[C@@H](C2=CC=CS2)[NH+]3CCOCC3

InChI

InChI=1S/C20H25BrN2O2S2/c1-14-11-19(15(2)10-16(14)21)27-13-20(24)22-12-17(18-4-3-9-26-18)23-5-7-25-8-6-23/h3-4,9-11,17H,5-8,12-13H2,1-2H3,(H,22,24)/p+1/t17-/m0/s1