1-ethyl-3-(furan-2-ylmethylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile

Systemtic Name: 1-ethyl-3-(furan-2-ylmethylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 1-ethyl-3-(2-furylmethylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 1-ethyl-3-(2-furanylmethylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 1-ethyl-3-(furan-2-ylmethylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 1-ethyl-3-(2-furfurylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C17H20N3O+ MolecularWeight: 282.3602

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2CCCCC2=C(C(=[NH+]1)NCC3=CC=CO3)C#N

Isomeric SMILES

CCC1=C2CCCCC2=C(C(=[NH+]1)NCC3=CC=CO3)C#N

InChI

InChI=1S/C17H19N3O/c1-2-16-14-8-4-3-7-13(14)15(10-18)17(20-16)19-11-12-6-5-9-21-12/h5-6,9H,2-4,7-8,11H2,1H3,(H,19,20)/p+1