2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-N-(1-propylpiperidin-1-ium-4-yl)ethanamide

Systemtic Name: 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-N-(1-propylpiperidin-1-ium-4-yl)ethanamide Openeye Name: 2-(4-bromo-2,5-dimethyl-phenyl)sulfanyl-N-(1-propylpiperidin-1-ium-4-yl)acetamide CAS Name: 2-[(4-bromo-2,5-dimethylphenyl)thio]-N-(1-propyl-4-piperidin-1-iumyl)acetamide IUPAC Name: 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(1-propylpiperidin-1-ium-4-yl)acetamide Traditional Name: 2-[(4-bromo-2,5-dimethyl-phenyl)thio]-N-(1-propylpiperidin-1-ium-4-yl)acetamide Formula: C18H28BrN2OS+ MolecularWeight: 400.39672

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)NC(=O)CSC2=C(C=C(C(=C2)C)Br)C

Isomeric SMILES

CCC[NH+]1CCC(CC1)NC(=O)CSC2=C(C=C(C(=C2)C)Br)C

InChI

InChI=1S/C18H27BrN2OS/c1-4-7-21-8-5-15(6-9-21)20-18(22)12-23-17-11-13(2)16(19)10-14(17)3/h10-11,15H,4-9,12H2,1-3H3,(H,20,22)/p+1