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

Systemtic Name: 3-[(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)amino]propyl-dimethylazanium Traditional Name: 3-[(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)amino]propyl-dimethyl-ammonium Formula: C21H27N4+ MolecularWeight: 335.46588

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC1=NC(=C2CCCCC2=C1C#N)C3=CC=CC=C3

Isomeric SMILES

C[NH+](C)CCCNC1=NC(=C2CCCCC2=C1C#N)C3=CC=CC=C3

InChI

InChI=1S/C21H26N4/c1-25(2)14-8-13-23-21-19(15-22)17-11-6-7-12-18(17)20(24-21)16-9-4-3-5-10-16/h3-5,9-10H,6-8,11-14H2,1-2H3,(H,23,24)/p+1