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

Systemtic Name: 2-[2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Openeye Name: 2-[2-(2,4-dimethylphenyl)-2-oxo-ethyl]sulfanyl-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile CAS Name: 2-[[2-(2,4-dimethylphenyl)-2-oxoethyl]thio]-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile IUPAC Name: 2-[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Traditional Name: 2-[[2-(2,4-dimethylphenyl)-2-keto-ethyl]thio]-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Formula: C20H21N2OS+ MolecularWeight: 337.45854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)CSC2=[NH+]C3=C(CCCC3)C=C2C#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)CSC2=[NH+]C3=C(CCCC3)C=C2C#N)C

InChI

InChI=1S/C20H20N2OS/c1-13-7-8-17(14(2)9-13)19(23)12-24-20-16(11-21)10-15-5-3-4-6-18(15)22-20/h7-10H,3-6,12H2,1-2H3/p+1