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

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl-[2-(furan-2-ylmethylsulfanyl)ethyl]azanium Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl-[2-(2-furylmethylsulfanyl)ethyl]ammonium CAS Name: (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl-[2-(2-furanylmethylthio)ethyl]ammonium IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl-[2-(furan-2-ylmethylsulfanyl)ethyl]azanium Traditional Name: (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl-[2-(2-furfurylthio)ethyl]ammonium Formula: C18H19ClNO3S+ MolecularWeight: 364.86636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH2+]CCSCC3=CC=CO3)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH2+]CCSCC3=CC=CO3)Cl

InChI

InChI=1S/C18H18ClNO3S/c1-12-7-17-15(9-16(12)19)13(8-18(21)23-17)10-20-4-6-24-11-14-3-2-5-22-14/h2-3,5,7-9,20H,4,6,10-11H2,1H3/p+1