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1-(furan-2-yl)-3-(3-propan-2-yloxypropylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile
1-(furan-2-yl)-3-(3-propan-2-yloxypropylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile
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Descriptors Computed from Structure
Canonical SMILES:
CC(C)OCCCNC1=[NH+]C(=C2CCCCC2=C1C#N)C3=CC=CO3
Isomeric SMILES
CC(C)OCCCNC1=[NH+]C(=C2CCCCC2=C1C#N)C3=CC=CO3
InChI
InChI=1S/C20H25N3O2/c1-14(2)24-12-6-10-22-20-17(13-21)15-7-3-4-8-16(15)19(23-20)18-9-5-11-25-18/h5,9,11,14H,3-4,6-8,10,12H2,1-2H3,(H,22,23)/p+1
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