(2-azanyl-3,4-dihydroisoquinolin-2-ium-1-yl)-(4-chlorophenyl)methanone perchlorate

Systemtic Name: (2-azanyl-3,4-dihydroisoquinolin-2-ium-1-yl)-(4-chlorophenyl)methanone perchlorate Openeye Name: (2-amino-3,4-dihydroisoquinolin-2-ium-1-yl)-(4-chlorophenyl)methanone perchlorate CAS Name: (2-amino-3,4-dihydroisoquinolin-2-ium-1-yl)-(4-chlorophenyl)methanone perchlorate IUPAC Name: (2-amino-3,4-dihydroisoquinolin-2-ium-1-yl)-(4-chlorophenyl)methanone perchlorate Traditional Name: (2-amino-3,4-dihydroisoquinolin-2-ium-1-yl)-(4-chlorophenyl)methanone perchlorate Formula: C16H14Cl2N2O5 MolecularWeight: 385.19876

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](=C(C2=CC=CC=C21)C(=O)C3=CC=C(C=C3)Cl)N.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C1C[N+](=C(C2=CC=CC=C21)C(=O)C3=CC=C(C=C3)Cl)N.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C16H13ClN2O.ClHO4/c17-13-7-5-12(6-8-13)16(20)15-14-4-2-1-3-11(14)9-10-19(15)18;2-1(3,4)5/h1-8H,9-10H2,(H-,18,20);(H,2,3,4,5)