1-butyl-3-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile

Systemtic Name: 1-butyl-3-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 1-butyl-3-morpholino-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 1-butyl-3-(4-morpholinyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 1-butyl-3-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 1-butyl-3-morpholino-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C18H26N3O+ MolecularWeight: 300.41854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2CCCCC2=C(C(=[NH+]1)N3CCOCC3)C#N

Isomeric SMILES

CCCCC1=C2CCCCC2=C(C(=[NH+]1)N3CCOCC3)C#N

InChI

InChI=1S/C18H25N3O/c1-2-3-8-17-15-7-5-4-6-14(15)16(13-19)18(20-17)21-9-11-22-12-10-21/h2-12H2,1H3/p+1