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

Systemtic Name: 2-[(4-chlorophenyl)-piperidin-1-ium-1-ylidene-methyl]sulfanylethanenitrile Openeye Name: 2-[(4-chlorophenyl)-piperidin-1-ium-1-ylidene-methyl]sulfanylacetonitrile CAS Name: 2-[[(4-chlorophenyl)-(1-piperidin-1-iumylidene)methyl]thio]acetonitrile IUPAC Name: 2-[(4-chlorophenyl)-piperidin-1-ium-1-ylidenemethyl]sulfanylacetonitrile Traditional Name: 2-[[(4-chlorophenyl)-piperidin-1-ium-1-ylidene-methyl]thio]acetonitrile Formula: C14H16ClN2S+ MolecularWeight: 279.80824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16ClN2S/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/q+1