(5-bromanyl-1-benzofuran-2-yl)-[4-(dimethylaminomethyl)-2-methyl-5-oxidanyl-1-benzofuran-3-yl]methanone hydrate hydrochloride

Systemtic Name: (5-bromanyl-1-benzofuran-2-yl)-[4-(dimethylaminomethyl)-2-methyl-5-oxidanyl-1-benzofuran-3-yl]methanone hydrate hydrochloride Openeye Name: (5-bromobenzofuran-2-yl)-[4-(dimethylaminomethyl)-5-hydroxy-2-methyl-benzofuran-3-yl]methanone hydrate hydrochloride CAS Name: (5-bromo-2-benzofuranyl)-[4-(dimethylaminomethyl)-5-hydroxy-2-methyl-3-benzofuranyl]methanone hydrate hydrochloride IUPAC Name: (5-bromo-1-benzofuran-2-yl)-[4-(dimethylaminomethyl)-5-hydroxy-2-methyl-1-benzofuran-3-yl]methanone hydrate hydrochloride Traditional Name: (5-bromobenzofuran-2-yl)-[4-(dimethylaminomethyl)-5-hydroxy-2-methyl-benzofuran-3-yl]methanone hydrate hydrochloride Formula: C21H21BrClNO5 MolecularWeight: 482.75214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(O1)C=CC(=C2CN(C)C)O)C(=O)C3=CC4=C(O3)C=CC(=C4)Br.O.Cl

Isomeric SMILES

CC1=C(C2=C(O1)C=CC(=C2CN(C)C)O)C(=O)C3=CC4=C(O3)C=CC(=C4)Br.O.Cl

InChI

InChI=1S/C21H18BrNO4.ClH.H2O/c1-11-19(20-14(10-23(2)3)15(24)5-7-17(20)26-11)21(25)18-9-12-8-13(22)4-6-16(12)27-18;;/h4-9,24H,10H2,1-3H3;1H;1H2