3-(3-azanylpropoxy)isochromen-1-one hydrochloride

Systemtic Name: 3-(3-azanylpropoxy)isochromen-1-one hydrochloride Openeye Name: 3-(3-aminopropoxy)isochromen-1-one hydrochloride CAS Name: 3-(3-aminopropoxy)-2-benzopyran-1-one hydrochloride IUPAC Name: 3-(3-aminopropoxy)isochromen-1-one hydrochloride Traditional Name: 3-(3-aminopropoxy)isocoumarin hydrochloride Formula: C12H14ClNO3 MolecularWeight: 255.69746

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(OC2=O)OCCCN.Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=C(OC2=O)OCCCN.Cl

InChI

InChI=1S/C12H13NO3.ClH/c13-6-3-7-15-11-8-9-4-1-2-5-10(9)12(14)16-11;/h1-2,4-5,8H,3,6-7,13H2;1H