2-[(4-methoxyphenyl)-piperidin-1-ium-1-ylidene-methyl]sulfanylethanenitrile bromide

Systemtic Name: 2-[(4-methoxyphenyl)-piperidin-1-ium-1-ylidene-methyl]sulfanylethanenitrile bromide Openeye Name: 2-[(4-methoxyphenyl)-piperidin-1-ium-1-ylidene-methyl]sulfanylacetonitrile bromide CAS Name: 2-[[(4-methoxyphenyl)-(1-piperidin-1-iumylidene)methyl]thio]acetonitrile bromide IUPAC Name: 2-[(4-methoxyphenyl)-piperidin-1-ium-1-ylidenemethyl]sulfanylacetonitrile bromide Traditional Name: 2-[[(4-methoxyphenyl)-piperidin-1-ium-1-ylidene-methyl]thio]acetonitrile bromide Formula: C15H19BrN2OS MolecularWeight: 355.29316

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=[N+]2CCCCC2)SCC#N.[Br-]

Isomeric SMILES

COC1=CC=C(C=C1)C(=[N+]2CCCCC2)SCC#N.[Br-]

InChI

InChI=1S/C15H19N2OS.BrH/c1-18-14-7-5-13(6-8-14)15(19-12-9-16)17-10-3-2-4-11-17;/h5-8H,2-4,10-12H2,1H3;1H/q+1;/p-1