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

Systemtic Name: 3-(furan-2-ylmethylamino)-1-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 3-(2-furylmethylamino)-1-isopropyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 3-(2-furanylmethylamino)-1-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 3-(furan-2-ylmethylamino)-1-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 3-(2-furfurylamino)-1-isopropyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C18H22N3O+ MolecularWeight: 296.38678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C2CCCCC2=C(C(=[NH+]1)NCC3=CC=CO3)C#N

Isomeric SMILES

CC(C)C1=C2CCCCC2=C(C(=[NH+]1)NCC3=CC=CO3)C#N

InChI

InChI=1S/C18H21N3O/c1-12(2)17-15-8-4-3-7-14(15)16(10-19)18(21-17)20-11-13-6-5-9-22-13/h5-6,9,12H,3-4,7-8,11H2,1-2H3,(H,20,21)/p+1