(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl-[2-(furan-2-ylmethylsulfanyl)ethyl]azanium

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl-[2-(furan-2-ylmethylsulfanyl)ethyl]azanium Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl-[2-(2-furylmethylsulfanyl)ethyl]ammonium CAS Name: (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl-[2-(2-furanylmethylthio)ethyl]ammonium IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl-[2-(furan-2-ylmethylsulfanyl)ethyl]azanium Traditional Name: 2-(2-furfurylthio)ethyl-[(2-keto-7,8-dimethyl-chromen-4-yl)methyl]ammonium Formula: C19H22NO3S+ MolecularWeight: 344.44788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)C[NH2+]CCSCC3=CC=CO3)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)C[NH2+]CCSCC3=CC=CO3)C

InChI

InChI=1S/C19H21NO3S/c1-13-5-6-17-15(10-18(21)23-19(17)14(13)2)11-20-7-9-24-12-16-4-3-8-22-16/h3-6,8,10,20H,7,9,11-12H2,1-2H3/p+1