(2R)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-3-methyl-butanoate

Systemtic Name: (2R)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-3-methyl-butanoate Openeye Name: (2R)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-3-methyl-butanoate CAS Name: (2R)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-3-methylbutanoate IUPAC Name: (2R)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-3-methylbutanoate Traditional Name: (2R)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-3-methyl-butyrate Formula: C16H23NO4 MolecularWeight: 293.35812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])[NH+]1CCC2=CC(=C(C=C2C1)OC)OC

Isomeric SMILES

CC(C)[C@H](C(=O)[O-])[NH+]1CCC2=CC(=C(C=C2C1)OC)OC

InChI

InChI=1S/C16H23NO4/c1-10(2)15(16(18)19)17-6-5-11-7-13(20-3)14(21-4)8-12(11)9-17/h7-8,10,15H,5-6,9H2,1-4H3,(H,18,19)/t15-/m1/s1