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

Systemtic Name: N7-[(4-chlorophenyl)methyl]isoquinoline-1,7-diamine dihydrochloride Openeye Name: N7-[(4-chlorophenyl)methyl]isoquinoline-1,7-diamine dihydrochloride CAS Name: N7-[(4-chlorophenyl)methyl]isoquinoline-1,7-diamine dihydrochloride IUPAC Name: 7-N-[(4-chlorophenyl)methyl]isoquinoline-1,7-diamine dihydrochloride Traditional Name: (1-amino-7-isoquinolyl)-(4-chlorobenzyl)amine dihydrochloride Formula: C16H16Cl3N3 MolecularWeight: 356.67734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClN3.2ClH/c17-13-4-1-11(2-5-13)10-20-14-6-3-12-7-8-19-16(18)15(12)9-14;;/h1-9,20H,10H2,(H2,18,19);2*1H