4-methyl-7-[2-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)ethoxy]chromen-2-one

Systemtic Name: 4-methyl-7-[2-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)ethoxy]chromen-2-one Openeye Name: 4-methyl-7-[2-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)ethoxy]chromen-2-one CAS Name: 4-methyl-7-[2-[2-(1-pyrrolidin-1-iumyl)ethylthio]ethoxy]-1-benzopyran-2-one IUPAC Name: 4-methyl-7-[2-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)ethoxy]chromen-2-one Traditional Name: 4-methyl-7-[2-(2-pyrrolidin-1-ium-1-ylethylthio)ethoxy]coumarin Formula: C18H24NO3S+ MolecularWeight: 334.45306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OCCSCC[NH+]3CCCC3

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OCCSCC[NH+]3CCCC3

InChI

InChI=1S/C18H23NO3S/c1-14-12-18(20)22-17-13-15(4-5-16(14)17)21-9-11-23-10-8-19-6-2-3-7-19/h4-5,12-13H,2-3,6-11H2,1H3/p+1