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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)NN=C2CC[NH+](CC2)C(C)C

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)NN=C2CC[NH+](CC2)C(C)C

InChI

InChI=1S/C18H26BrN3OS/c1-12(2)22-7-5-15(6-8-22)20-21-18(23)11-24-17-10-13(3)16(19)9-14(17)4/h9-10,12H,5-8,11H2,1-4H3,(H,21,23)/p+1