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

Systemtic Name: 2-[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)amino]ethyl-dimethyl-ammonium Formula: C16H26N4+2 MolecularWeight: 274.40444

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2CCCCC2=C(C(=[NH+]1)NCC[NH+](C)C)C#N

Isomeric SMILES

CCC1=C2CCCCC2=C(C(=[NH+]1)NCC[NH+](C)C)C#N

InChI

InChI=1S/C16H24N4/c1-4-15-13-8-6-5-7-12(13)14(11-17)16(19-15)18-9-10-20(2)3/h4-10H2,1-3H3,(H,18,19)/p+2