N4-(3-phenylisoquinolin-1-yl)cyclohexane-1,4-diamine hydrochloride

Systemtic Name: N4-(3-phenylisoquinolin-1-yl)cyclohexane-1,4-diamine hydrochloride Openeye Name: N4-(3-phenyl-1-isoquinolyl)cyclohexane-1,4-diamine hydrochloride CAS Name: N4-(3-phenyl-1-isoquinolinyl)cyclohexane-1,4-diamine hydrochloride IUPAC Name: 4-N-(3-phenylisoquinolin-1-yl)cyclohexane-1,4-diamine hydrochloride Traditional Name: (4-aminocyclohexyl)-(3-phenyl-1-isoquinolyl)amine hydrochloride Formula: C21H24ClN3 MolecularWeight: 353.88836

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)NC2=NC(=CC3=CC=CC=C32)C4=CC=CC=C4.Cl

Isomeric SMILES

C1CC(CCC1N)NC2=NC(=CC3=CC=CC=C32)C4=CC=CC=C4.Cl

InChI

InChI=1S/C21H23N3.ClH/c22-17-10-12-18(13-11-17)23-21-19-9-5-4-8-16(19)14-20(24-21)15-6-2-1-3-7-15;/h1-9,14,17-18H,10-13,22H2,(H,23,24);1H