5-(3-azanylbutoxy)-3,4,8-trimethyl-chromen-2-one hydrochloride

Systemtic Name: 5-(3-azanylbutoxy)-3,4,8-trimethyl-chromen-2-one hydrochloride Openeye Name: 5-(3-aminobutoxy)-3,4,8-trimethyl-chromen-2-one hydrochloride CAS Name: 5-(3-aminobutoxy)-3,4,8-trimethyl-1-benzopyran-2-one hydrochloride IUPAC Name: 5-(3-aminobutoxy)-3,4,8-trimethylchromen-2-one hydrochloride Traditional Name: 5-(3-aminobutoxy)-3,4,8-trimethyl-coumarin hydrochloride Formula: C16H22ClNO3 MolecularWeight: 311.80378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)OCCC(C)N)C(=C(C(=O)O2)C)C.Cl

Isomeric SMILES

CC1=C2C(=C(C=C1)OCCC(C)N)C(=C(C(=O)O2)C)C.Cl

InChI

InChI=1S/C16H21NO3.ClH/c1-9-5-6-13(19-8-7-10(2)17)14-11(3)12(4)16(18)20-15(9)14;/h5-6,10H,7-8,17H2,1-4H3;1H