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

Systemtic Name: 2-[(4-chlorophenyl)-piperidin-1-ium-1-ylidene-methyl]sulfanylethanenitrile bromide Openeye Name: 2-[(4-chlorophenyl)-piperidin-1-ium-1-ylidene-methyl]sulfanylacetonitrile bromide CAS Name: 2-[[(4-chlorophenyl)-(1-piperidin-1-iumylidene)methyl]thio]acetonitrile bromide IUPAC Name: 2-[(4-chlorophenyl)-piperidin-1-ium-1-ylidenemethyl]sulfanylacetonitrile bromide Traditional Name: 2-[[(4-chlorophenyl)-piperidin-1-ium-1-ylidene-methyl]thio]acetonitrile bromide Formula: C14H16BrClN2S MolecularWeight: 359.71224

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](=C(C2=CC=C(C=C2)Cl)SCC#N)CC1.[Br-]

Isomeric SMILES

C1CC[N+](=C(C2=CC=C(C=C2)Cl)SCC#N)CC1.[Br-]

InChI

InChI=1S/C14H16ClN2S.BrH/c15-13-6-4-12(5-7-13)14(18-11-8-16)17-9-2-1-3-10-17;/h4-7H,1-3,9-11H2;1H/q+1;/p-1