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

Systemtic Name: 1-butyl-3-[[(2S)-oxolan-2-yl]methylamino]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 1-butyl-3-[[(2S)-tetrahydrofuran-2-yl]methylamino]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 1-butyl-3-[[(2S)-2-oxolanyl]methylamino]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 1-butyl-3-[[(2S)-oxolan-2-yl]methylamino]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 1-butyl-3-[[(2S)-tetrahydrofuran-2-yl]methylamino]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C19H28N3O+ MolecularWeight: 314.44512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2CCCCC2=C(C(=[NH+]1)NCC3CCCO3)C#N

Isomeric SMILES

CCCCC1=C2CCCCC2=C(C(=[NH+]1)NC[C@@H]3CCCO3)C#N

InChI

InChI=1S/C19H27N3O/c1-2-3-10-18-16-9-5-4-8-15(16)17(12-20)19(22-18)21-13-14-7-6-11-23-14/h14H,2-11,13H2,1H3,(H,21,22)/p+1/t14-/m0/s1