5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)pentanoate

Systemtic Name: 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)pentanoate Openeye Name: 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)pentanoate CAS Name: 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)pentanoate IUPAC Name: 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)pentanoate Traditional Name: 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)valerate Formula: C16H23NO4 MolecularWeight: 293.35812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C[NH+](CCC2=C1)CCCCC(=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C[NH+](CCC2=C1)CCCCC(=O)[O-])OC

InChI

InChI=1S/C16H23NO4/c1-20-14-9-12-6-8-17(7-4-3-5-16(18)19)11-13(12)10-15(14)21-2/h9-10H,3-8,11H2,1-2H3,(H,18,19)