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

Systemtic Name: 2-[[4-cyano-1-(furan-2-yl)-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl]amino]ethylazanium Openeye Name: 2-[[4-cyano-1-(2-furyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl]amino]ethylammonium CAS Name: 2-[[4-cyano-1-(2-furanyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl]amino]ethylammonium IUPAC Name: 2-[[4-cyano-1-(furan-2-yl)-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl]amino]ethylazanium Traditional Name: 2-[[4-cyano-1-(2-furyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl]amino]ethylammonium Formula: C16H20N4O+2 MolecularWeight: 284.3562

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C([NH+]=C(C(=C2C1)C#N)NCC[NH3+])C3=CC=CO3

Isomeric SMILES

C1CCC2=C([NH+]=C(C(=C2C1)C#N)NCC[NH3+])C3=CC=CO3

InChI

InChI=1S/C16H18N4O/c17-7-8-19-16-13(10-18)11-4-1-2-5-12(11)15(20-16)14-6-3-9-21-14/h3,6,9H,1-2,4-5,7-8,17H2,(H,19,20)/p+2