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

Systemtic Name: 1-(furan-2-yl)-3-[[(2R)-2-oxidanylpropyl]amino]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 1-(2-furyl)-3-[[(2R)-2-hydroxypropyl]amino]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 1-(2-furanyl)-3-[[(2R)-2-hydroxypropyl]amino]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 1-(furan-2-yl)-3-[[(2R)-2-hydroxypropyl]amino]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 1-(2-furyl)-3-[[(2R)-2-hydroxypropyl]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:

CC(CNC1=[NH+]C(=C2CCCCC2=C1C#N)C3=CC=CO3)O

Isomeric SMILES

C[C@H](CNC1=[NH+]C(=C2CCCCC2=C1C#N)C3=CC=CO3)O

InChI

InChI=1S/C17H19N3O2/c1-11(21)10-19-17-14(9-18)12-5-2-3-6-13(12)16(20-17)15-7-4-8-22-15/h4,7-8,11,21H,2-3,5-6,10H2,1H3,(H,19,20)/p+1/t11-/m1/s1