5-(1-azanylbutyl)-6-chloranyl-3-ethyl-4-methyl-7-oxidanyl-chromen-2-one hydrochloride

Systemtic Name: 5-(1-azanylbutyl)-6-chloranyl-3-ethyl-4-methyl-7-oxidanyl-chromen-2-one hydrochloride Openeye Name: 5-(1-aminobutyl)-6-chloro-3-ethyl-7-hydroxy-4-methyl-chromen-2-one hydrochloride CAS Name: 5-(1-aminobutyl)-6-chloro-3-ethyl-7-hydroxy-4-methyl-1-benzopyran-2-one hydrochloride IUPAC Name: 5-(1-aminobutyl)-6-chloro-3-ethyl-7-hydroxy-4-methylchromen-2-one hydrochloride Traditional Name: 5-(1-aminobutyl)-6-chloro-3-ethyl-7-hydroxy-4-methyl-coumarin hydrochloride Formula: C16H21Cl2NO3 MolecularWeight: 346.24884

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=C2C(=C(C(=O)OC2=CC(=C1Cl)O)CC)C)N.Cl

Isomeric SMILES

CCCC(C1=C2C(=C(C(=O)OC2=CC(=C1Cl)O)CC)C)N.Cl

InChI

InChI=1S/C16H20ClNO3.ClH/c1-4-6-10(18)14-13-8(3)9(5-2)16(20)21-12(13)7-11(19)15(14)17;/h7,10,19H,4-6,18H2,1-3H3;1H