1-(2-aminophenyl)-3-azanyl-3-(4-azanylbutyl)-5-(3-hydroxyphenyl)pentane-2,4-dione hydrochloride

Systemtic Name: 1-(2-aminophenyl)-3-azanyl-3-(4-azanylbutyl)-5-(3-hydroxyphenyl)pentane-2,4-dione hydrochloride Openeye Name: 3-amino-3-(4-aminobutyl)-1-(2-aminophenyl)-5-(3-hydroxyphenyl)pentane-2,4-dione hydrochloride CAS Name: 3-amino-3-(4-aminobutyl)-1-(2-aminophenyl)-5-(3-hydroxyphenyl)pentane-2,4-dione hydrochloride IUPAC Name: 3-amino-3-(4-aminobutyl)-1-(2-aminophenyl)-5-(3-hydroxyphenyl)pentane-2,4-dione hydrochloride Traditional Name: 3-amino-3-(4-aminobutyl)-1-(2-aminophenyl)-5-(3-hydroxyphenyl)pentane-2,4-dione hydrochloride Formula: C21H28ClN3O3 MolecularWeight: 405.91832

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC(=O)C(CCCCN)(C(=O)CC2=CC(=CC=C2)O)N)N.Cl

Isomeric SMILES

C1=CC=C(C(=C1)CC(=O)C(CCCCN)(C(=O)CC2=CC(=CC=C2)O)N)N.Cl

InChI

InChI=1S/C21H27N3O3.ClH/c22-11-4-3-10-21(24,19(26)13-15-6-5-8-17(25)12-15)20(27)14-16-7-1-2-9-18(16)23;/h1-2,5-9,12,25H,3-4,10-11,13-14,22-24H2;1H