N',N'-dibutyl-N-isoquinolin-1-yl-propane-1,3-diamine chloride

Systemtic Name: N',N'-dibutyl-N-isoquinolin-1-yl-propane-1,3-diamine chloride Openeye Name: N',N'-dibutyl-N-(1-isoquinolyl)propane-1,3-diamine chloride CAS Name: N',N'-dibutyl-N-(1-isoquinolinyl)propane-1,3-diamine chloride IUPAC Name: N',N'-dibutyl-N-isoquinolin-1-ylpropane-1,3-diamine chloride Traditional Name: dibutyl-[3-(1-isoquinolylamino)propyl]amine chloride Formula: C20H31ClN3- MolecularWeight: 348.93324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CCCNC1=NC=CC2=CC=CC=C21.[Cl-]

Isomeric SMILES

CCCCN(CCCC)CCCNC1=NC=CC2=CC=CC=C21.[Cl-]

InChI

InChI=1S/C20H31N3.ClH/c1-3-5-15-23(16-6-4-2)17-9-13-21-20-19-11-8-7-10-18(19)12-14-22-20;/h7-8,10-12,14H,3-6,9,13,15-17H2,1-2H3,(H,21,22);1H/p-1