N7-[(3,4-dichlorophenyl)methyl]isoquinoline-1,7-diamine dihydrochloride

Systemtic Name: N7-[(3,4-dichlorophenyl)methyl]isoquinoline-1,7-diamine dihydrochloride Openeye Name: N7-[(3,4-dichlorophenyl)methyl]isoquinoline-1,7-diamine dihydrochloride CAS Name: N7-[(3,4-dichlorophenyl)methyl]isoquinoline-1,7-diamine dihydrochloride IUPAC Name: 7-N-[(3,4-dichlorophenyl)methyl]isoquinoline-1,7-diamine dihydrochloride Traditional Name: (1-amino-7-isoquinolyl)-(3,4-dichlorobenzyl)amine dihydrochloride Formula: C16H15Cl4N3 MolecularWeight: 391.1224

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=C1C=CN=C2N)NCC3=CC(=C(C=C3)Cl)Cl.Cl.Cl

Isomeric SMILES

C1=CC(=CC2=C1C=CN=C2N)NCC3=CC(=C(C=C3)Cl)Cl.Cl.Cl

InChI

InChI=1S/C16H13Cl2N3.2ClH/c17-14-4-1-10(7-15(14)18)9-21-12-3-2-11-5-6-20-16(19)13(11)8-12;;/h1-8,21H,9H2,(H2,19,20);2*1H