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

Systemtic Name: 3-[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)amino]propyl-dimethylazanium Traditional Name: 3-[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)amino]propyl-dimethyl-ammonium Formula: C17H28N4+2 MolecularWeight: 288.43102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N4/c1-4-16-14-9-6-5-8-13(14)15(12-18)17(20-16)19-10-7-11-21(2)3/h4-11H2,1-3H3,(H,19,20)/p+2