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

Systemtic Name: methyl (2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butanoate Openeye Name: methyl (2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butanoate CAS Name: (2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butanoic acid methyl ester IUPAC Name: methyl (2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butanoate Traditional Name: (2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyric acid methyl ester Formula: C14H20NO2+ MolecularWeight: 234.3141

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO2/c1-3-13(14(16)17-2)15-9-8-11-6-4-5-7-12(11)10-15/h4-7,13H,3,8-10H2,1-2H3/p+1/t13-/m1/s1