2-(4-bromanyl-2-methyl-phenyl)sulfanyl-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]ethanamide

Systemtic Name: 2-(4-bromanyl-2-methyl-phenyl)sulfanyl-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]ethanamide Openeye Name: 2-(4-bromo-2-methyl-phenyl)sulfanyl-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]acetamide CAS Name: 2-[(4-bromo-2-methylphenyl)thio]-N-[4-(4-morpholin-4-iumylmethyl)phenyl]acetamide IUPAC Name: 2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]acetamide Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]acetamide Formula: C20H24BrN2O2S+ MolecularWeight: 436.38576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)NC2=CC=C(C=C2)C[NH+]3CCOCC3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)NC2=CC=C(C=C2)C[NH+]3CCOCC3

InChI

InChI=1S/C20H23BrN2O2S/c1-15-12-17(21)4-7-19(15)26-14-20(24)22-18-5-2-16(3-6-18)13-23-8-10-25-11-9-23/h2-7,12H,8-11,13-14H2,1H3,(H,22,24)/p+1