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

Systemtic Name: 1-ethyl-3-[[(2R)-1-oxidanylbutan-2-yl]amino]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 1-ethyl-3-[[(1R)-1-(hydroxymethyl)propyl]amino]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 1-ethyl-3-[[(2R)-1-hydroxybutan-2-yl]amino]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 1-ethyl-3-[[(2R)-1-hydroxybutan-2-yl]amino]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 1-ethyl-3-[[(1R)-1-methylolpropyl]amino]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C16H24N3O+ MolecularWeight: 274.38126

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2CCCCC2=C(C(=[NH+]1)NC(CC)CO)C#N

Isomeric SMILES

CCC1=C2CCCCC2=C(C(=[NH+]1)N[C@H](CC)CO)C#N

InChI

InChI=1S/C16H23N3O/c1-3-11(10-20)18-16-14(9-17)12-7-5-6-8-13(12)15(4-2)19-16/h11,20H,3-8,10H2,1-2H3,(H,18,19)/p+1/t11-/m1/s1