2-[(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)amino]ethyl-dimethyl-ammonium Formula: C20H25N4+ MolecularWeight: 321.4393

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC1=NC(=C2CCCCC2=C1C#N)C3=CC=CC=C3

Isomeric SMILES

C[NH+](C)CCNC1=NC(=C2CCCCC2=C1C#N)C3=CC=CC=C3

InChI

InChI=1S/C20H24N4/c1-24(2)13-12-22-20-18(14-21)16-10-6-7-11-17(16)19(23-20)15-8-4-3-5-9-15/h3-5,8-9H,6-7,10-13H2,1-2H3,(H,22,23)/p+1