1-methyl-3-[[(2R)-oxolan-2-yl]methylamino]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile

Systemtic Name: 1-methyl-3-[[(2R)-oxolan-2-yl]methylamino]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 1-methyl-3-[[(2R)-tetrahydrofuran-2-yl]methylamino]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 1-methyl-3-[[(2R)-2-oxolanyl]methylamino]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 1-methyl-3-[[(2R)-oxolan-2-yl]methylamino]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 1-methyl-3-[[(2R)-tetrahydrofuran-2-yl]methylamino]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C16H22N3O+ MolecularWeight: 272.36538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCCCC2=C(C(=[NH+]1)NCC3CCCO3)C#N

Isomeric SMILES

CC1=C2CCCCC2=C(C(=[NH+]1)NC[C@H]3CCCO3)C#N

InChI

InChI=1S/C16H21N3O/c1-11-13-6-2-3-7-14(13)15(9-17)16(19-11)18-10-12-5-4-8-20-12/h12H,2-8,10H2,1H3,(H,18,19)/p+1/t12-/m1/s1