1-(furan-2-yl)-3-[2-hydroxyethyl(methyl)amino]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile

Systemtic Name: 1-(furan-2-yl)-3-[2-hydroxyethyl(methyl)amino]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 1-(2-furyl)-3-[2-hydroxyethyl(methyl)amino]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 1-(2-furanyl)-3-[2-hydroxyethyl(methyl)amino]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 1-(furan-2-yl)-3-[2-hydroxyethyl(methyl)amino]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 1-(2-furyl)-3-[2-hydroxyethyl(methyl)amino]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C17H20N3O2+ MolecularWeight: 298.3596

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCO)C1=[NH+]C(=C2CCCCC2=C1C#N)C3=CC=CO3

Isomeric SMILES

CN(CCO)C1=[NH+]C(=C2CCCCC2=C1C#N)C3=CC=CO3

InChI

InChI=1S/C17H19N3O2/c1-20(8-9-21)17-14(11-18)12-5-2-3-6-13(12)16(19-17)15-7-4-10-22-15/h4,7,10,21H,2-3,5-6,8-9H2,1H3/p+1