(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl-(2-thiophen-2-ylethyl)azanium

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl-(2-thiophen-2-ylethyl)azanium Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl-[2-(2-thienyl)ethyl]ammonium CAS Name: (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl-(2-thiophen-2-ylethyl)ammonium IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl-(2-thiophen-2-ylethyl)azanium Traditional Name: (2-keto-7,8-dimethyl-chromen-4-yl)methyl-[2-(2-thienyl)ethyl]ammonium Formula: C18H20NO2S+ MolecularWeight: 314.4219

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)C[NH2+]CCC3=CC=CS3)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)C[NH2+]CCC3=CC=CS3)C

InChI

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