methyl-oxidanylidene-phenyl-(piperidin-1-ylmethylimino)-$l^{6}-sulfane; 1-methylpiperidin-1-ium; bromide

Systemtic Name: methyl-oxidanylidene-phenyl-(piperidin-1-ylmethylimino)-$l^{6}-sulfane; 1-methylpiperidin-1-ium; bromide Openeye Name: methyl-oxo-phenyl-(1-piperidylmethylimino)-$l^{6}-sulfane; 1-methylpiperidin-1-ium; bromide CAS Name: methyl-oxo-phenyl-(1-piperidinylmethylimino)-$l^{6}-sulfane; 1-methylpiperidin-1-ium; bromide IUPAC Name: methyl-oxo-phenyl-(piperidin-1-ylmethylimino)-$l^{6}-sulfane; 1-methylpiperidin-1-ium; bromide Traditional Name: keto-methyl-phenyl-(piperidinomethylimino)-$l^{6}-sulfane; 1-methylpiperidin-1-ium; bromide Formula: C19H34BrN3OS MolecularWeight: 432.46176

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCCC1.CS(=NCN1CCCCC1)(=O)C2=CC=CC=C2.[Br-]

Isomeric SMILES

C[NH+]1CCCCC1.CS(=NCN1CCCCC1)(=O)C2=CC=CC=C2.[Br-]

InChI

InChI=1S/C13H20N2OS.C6H13N.BrH/c1-17(16,13-8-4-2-5-9-13)14-12-15-10-6-3-7-11-15;1-7-5-3-2-4-6-7;/h2,4-5,8-9H,3,6-7,10-12H2,1H3;2-6H2,1H3;1H