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

Systemtic Name: 3-[[(2R)-oxolan-2-yl]methylamino]-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 1-phenyl-3-[[(2R)-tetrahydrofuran-2-yl]methylamino]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 3-[[(2R)-2-oxolanyl]methylamino]-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 3-[[(2R)-oxolan-2-yl]methylamino]-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 1-phenyl-3-[[(2R)-tetrahydrofuran-2-yl]methylamino]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C21H24N3O+ MolecularWeight: 334.43476

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C([NH+]=C(C(=C2C1)C#N)NCC3CCCO3)C4=CC=CC=C4

Isomeric SMILES

C1CCC2=C([NH+]=C(C(=C2C1)C#N)NC[C@H]3CCCO3)C4=CC=CC=C4

InChI

InChI=1S/C21H23N3O/c22-13-19-17-10-4-5-11-18(17)20(15-7-2-1-3-8-15)24-21(19)23-14-16-9-6-12-25-16/h1-3,7-8,16H,4-6,9-12,14H2,(H,23,24)/p+1/t16-/m1/s1