2-[(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)amino]ethylazanium

Systemtic Name: 2-[(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)amino]ethylazanium Openeye Name: 2-[(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)amino]ethylammonium CAS Name: 2-[(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)amino]ethylammonium IUPAC Name: 2-[(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)amino]ethylazanium Traditional Name: 2-[(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)amino]ethylammonium Formula: C18H22N4+2 MolecularWeight: 294.39408

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C([NH+]=C(C(=C2C1)C#N)NCC[NH3+])C3=CC=CC=C3

Isomeric SMILES

C1CCC2=C([NH+]=C(C(=C2C1)C#N)NCC[NH3+])C3=CC=CC=C3

InChI

InChI=1S/C18H20N4/c19-10-11-21-18-16(12-20)14-8-4-5-9-15(14)17(22-18)13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-11,19H2,(H,21,22)/p+2