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

Systemtic Name: 1-(2-aminophenyl)-3-azanyl-3-(4-azanylbutyl)-5-thiophen-3-yl-pentane-2,4-dione hydrochloride Openeye Name: 3-amino-3-(4-aminobutyl)-1-(2-aminophenyl)-5-(3-thienyl)pentane-2,4-dione hydrochloride CAS Name: 3-amino-3-(4-aminobutyl)-1-(2-aminophenyl)-5-(3-thiophenyl)pentane-2,4-dione hydrochloride IUPAC Name: 3-amino-3-(4-aminobutyl)-1-(2-aminophenyl)-5-thiophen-3-ylpentane-2,4-dione hydrochloride Traditional Name: 3-amino-3-(4-aminobutyl)-1-(2-aminophenyl)-5-(3-thienyl)pentane-2,4-dione hydrochloride Formula: C19H26ClN3O2S MolecularWeight: 395.94664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O2S.ClH/c20-9-4-3-8-19(22,17(23)11-14-7-10-25-13-14)18(24)12-15-5-1-2-6-16(15)21;/h1-2,5-7,10,13H,3-4,8-9,11-12,20-22H2;1H