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

Systemtic Name: 1-ethyl-3-[2-oxidanylidene-2-(2-oxidanylidenechromen-3-yl)ethyl]sulfanyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 1-ethyl-3-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 1-ethyl-3-[[2-oxo-2-(2-oxo-1-benzopyran-3-yl)ethyl]thio]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 1-ethyl-3-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 1-ethyl-3-[[2-keto-2-(2-ketochromen-3-yl)ethyl]thio]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C23H21N2O3S+ MolecularWeight: 405.48944

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2CCCCC2=C(C(=[NH+]1)SCC(=O)C3=CC4=CC=CC=C4OC3=O)C#N

Isomeric SMILES

CCC1=C2CCCCC2=C(C(=[NH+]1)SCC(=O)C3=CC4=CC=CC=C4OC3=O)C#N

InChI

InChI=1S/C23H20N2O3S/c1-2-19-16-9-5-4-8-15(16)18(12-24)22(25-19)29-13-20(26)17-11-14-7-3-6-10-21(14)28-23(17)27/h3,6-7,10-11H,2,4-5,8-9,13H2,1H3/p+1