(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl-(2-thiophen-2-ylethyl)azanium

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl-(2-thiophen-2-ylethyl)azanium Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl-[2-(2-thienyl)ethyl]ammonium CAS Name: (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl-(2-thiophen-2-ylethyl)ammonium IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl-(2-thiophen-2-ylethyl)azanium Traditional Name: (2-keto-6,7-dimethyl-chromen-4-yl)methyl-[2-(2-thienyl)ethyl]ammonium Formula: C18H20NO2S+ MolecularWeight: 314.4219

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH2+]CCC3=CC=CS3)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH2+]CCC3=CC=CS3)C

InChI

InChI=1S/C18H19NO2S/c1-12-8-16-14(10-18(20)21-17(16)9-13(12)2)11-19-6-5-15-4-3-7-22-15/h3-4,7-10,19H,5-6,11H2,1-2H3/p+1