3-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-1-ethyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile

Systemtic Name: 3-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-1-ethyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 3-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-1-ethyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 3-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-1-ethyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 3-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-1-ethyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 3-[[2-(4-chlorophenyl)-2-keto-ethyl]thio]-1-ethyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C20H20ClN2OS+ MolecularWeight: 371.9036

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2CCCCC2=C(C(=[NH+]1)SCC(=O)C3=CC=C(C=C3)Cl)C#N

Isomeric SMILES

CCC1=C2CCCCC2=C(C(=[NH+]1)SCC(=O)C3=CC=C(C=C3)Cl)C#N

InChI

InChI=1S/C20H19ClN2OS/c1-2-18-16-6-4-3-5-15(16)17(11-22)20(23-18)25-12-19(24)13-7-9-14(21)10-8-13/h7-10H,2-6,12H2,1H3/p+1