2-(4-bromanyl-2-methyl-phenyl)sulfanyl-N-(4-methylpiperazin-4-ium-1-yl)ethanamide

Systemtic Name: 2-(4-bromanyl-2-methyl-phenyl)sulfanyl-N-(4-methylpiperazin-4-ium-1-yl)ethanamide Openeye Name: 2-(4-bromo-2-methyl-phenyl)sulfanyl-N-(4-methylpiperazin-4-ium-1-yl)acetamide CAS Name: 2-[(4-bromo-2-methylphenyl)thio]-N-(4-methyl-1-piperazin-4-iumyl)acetamide IUPAC Name: 2-(4-bromo-2-methylphenyl)sulfanyl-N-(4-methylpiperazin-4-ium-1-yl)acetamide Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]-N-(4-methylpiperazin-4-ium-1-yl)acetamide Formula: C14H21BrN3OS+ MolecularWeight: 359.30504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)NN2CC[NH+](CC2)C

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)NN2CC[NH+](CC2)C

InChI

InChI=1S/C14H20BrN3OS/c1-11-9-12(15)3-4-13(11)20-10-14(19)16-18-7-5-17(2)6-8-18/h3-4,9H,5-8,10H2,1-2H3,(H,16,19)/p+1