2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]ethanamide

Systemtic Name: 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]ethanamide Openeye Name: 2-(4-bromo-2,5-dimethyl-phenyl)sulfanyl-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]acetamide CAS Name: 2-[(4-bromo-2,5-dimethylphenyl)thio]-N-[(1-propyl-4-piperidin-1-iumylidene)amino]acetamide IUPAC Name: 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]acetamide Traditional Name: 2-[(4-bromo-2,5-dimethyl-phenyl)thio]-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]acetamide Formula: C18H27BrN3OS+ MolecularWeight: 413.39548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26BrN3OS/c1-4-7-22-8-5-15(6-9-22)20-21-18(23)12-24-17-11-13(2)16(19)10-14(17)3/h10-11H,4-9,12H2,1-3H3,(H,21,23)/p+1