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

Systemtic Name: 2-(furan-2-ylmethylsulfanyl)ethyl-[(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]azanium Openeye Name: 2-(2-furylmethylsulfanyl)ethyl-[(7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methyl]ammonium CAS Name: 2-(2-furanylmethylthio)ethyl-[(7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methyl]ammonium IUPAC Name: 2-(furan-2-ylmethylsulfanyl)ethyl-[(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl]azanium Traditional Name: 2-(2-furfurylthio)ethyl-[(7-hydroxy-2-keto-8-methyl-chromen-4-yl)methyl]ammonium Formula: C18H20NO4S+ MolecularWeight: 346.4207

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2C[NH2+]CCSCC3=CC=CO3)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2C[NH2+]CCSCC3=CC=CO3)O

InChI

InChI=1S/C18H19NO4S/c1-12-16(20)5-4-15-13(9-17(21)23-18(12)15)10-19-6-8-24-11-14-3-2-7-22-14/h2-5,7,9,19-20H,6,8,10-11H2,1H3/p+1