2-(1,3-benzodioxol-5-ylmethyl)-N'-(4-methoxyquinolin-2-yl)propane-1,3-diamine hydrochloride

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-N'-(4-methoxyquinolin-2-yl)propane-1,3-diamine hydrochloride Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-N'-(4-methoxy-2-quinolyl)propane-1,3-diamine hydrochloride CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-N'-(4-methoxy-2-quinolinyl)propane-1,3-diamine hydrochloride IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-N'-(4-methoxyquinolin-2-yl)propane-1,3-diamine hydrochloride Traditional Name: [2-(aminomethyl)-3-(1,3-benzodioxol-5-yl)propyl]-(4-methoxy-2-quinolyl)amine hydrochloride Formula: C21H24ClN3O3 MolecularWeight: 401.88656

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC2=CC=CC=C21)NCC(CC3=CC4=C(C=C3)OCO4)CN.Cl

Isomeric SMILES

COC1=CC(=NC2=CC=CC=C21)NCC(CC3=CC4=C(C=C3)OCO4)CN.Cl

InChI

InChI=1S/C21H23N3O3.ClH/c1-25-19-10-21(24-17-5-3-2-4-16(17)19)23-12-15(11-22)8-14-6-7-18-20(9-14)27-13-26-18;/h2-7,9-10,15H,8,11-13,22H2,1H3,(H,23,24);1H