2-[(2-bromophenyl)methylsulfanyl]-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]ethanamide

Systemtic Name: 2-[(2-bromophenyl)methylsulfanyl]-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]ethanamide Openeye Name: 2-[(2-bromophenyl)methylsulfanyl]-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]acetamide CAS Name: 2-[(2-bromophenyl)methylthio]-N-[(1-methyl-4-piperidin-1-iumylidene)amino]acetamide IUPAC Name: 2-[(2-bromophenyl)methylsulfanyl]-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]acetamide Traditional Name: 2-[(2-bromobenzyl)thio]-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]acetamide Formula: C15H21BrN3OS+ MolecularWeight: 371.31574

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(=NNC(=O)CSCC2=CC=CC=C2Br)CC1

Isomeric SMILES

C[NH+]1CCC(=NNC(=O)CSCC2=CC=CC=C2Br)CC1

InChI

InChI=1S/C15H20BrN3OS/c1-19-8-6-13(7-9-19)17-18-15(20)11-21-10-12-4-2-3-5-14(12)16/h2-5H,6-11H2,1H3,(H,18,20)/p+1