6-bromanyl-7-methyl-3-phenylsulfanyl-3-(pyrrolidin-1-ylmethyl)-2H-chromen-4-one hydrochloride

Systemtic Name: 6-bromanyl-7-methyl-3-phenylsulfanyl-3-(pyrrolidin-1-ylmethyl)-2H-chromen-4-one hydrochloride Openeye Name: 6-bromo-7-methyl-3-phenylsulfanyl-3-(pyrrolidin-1-ylmethyl)chroman-4-one hydrochloride CAS Name: 6-bromo-7-methyl-3-(phenylthio)-3-(1-pyrrolidinylmethyl)-3,4-dihydro-2H-1-benzopyran-4-one hydrochloride IUPAC Name: 6-bromo-7-methyl-3-phenylsulfanyl-3-(pyrrolidin-1-ylmethyl)-2H-chromen-4-one hydrochloride Traditional Name: 6-bromo-7-methyl-3-(phenylthio)-3-(pyrrolidinomethyl)chroman-4-one hydrochloride Formula: C21H23BrClNO2S MolecularWeight: 468.83482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)OCC(C2=O)(CN3CCCC3)SC4=CC=CC=C4)Br.Cl

Isomeric SMILES

CC1=C(C=C2C(=C1)OCC(C2=O)(CN3CCCC3)SC4=CC=CC=C4)Br.Cl

InChI

InChI=1S/C21H22BrNO2S.ClH/c1-15-11-19-17(12-18(15)22)20(24)21(14-25-19,13-23-9-5-6-10-23)26-16-7-3-2-4-8-16;/h2-4,7-8,11-12H,5-6,9-10,13-14H2,1H3;1H