ethyl 2-[(1S)-6,7-dimethoxy-3,3,4,4-tetramethyl-1,2-dihydroisoquinolin-2-ium-1-yl]ethanoate

Systemtic Name: ethyl 2-[(1S)-6,7-dimethoxy-3,3,4,4-tetramethyl-1,2-dihydroisoquinolin-2-ium-1-yl]ethanoate Openeye Name: ethyl 2-[(1S)-6,7-dimethoxy-3,3,4,4-tetramethyl-1,2-dihydroisoquinolin-2-ium-1-yl]acetate CAS Name: 2-[(1S)-6,7-dimethoxy-3,3,4,4-tetramethyl-1,2-dihydroisoquinolin-2-ium-1-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(1S)-6,7-dimethoxy-3,3,4,4-tetramethyl-1,2-dihydroisoquinolin-2-ium-1-yl]acetate Traditional Name: 2-[(1S)-6,7-dimethoxy-3,3,4,4-tetramethyl-1,2-dihydroisoquinolin-2-ium-1-yl]acetic acid ethyl ester Formula: C19H30NO4+ MolecularWeight: 336.4458

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1C2=CC(=C(C=C2C(C([NH2+]1)(C)C)(C)C)OC)OC

Isomeric SMILES

CCOC(=O)C[C@H]1C2=CC(=C(C=C2C(C([NH2+]1)(C)C)(C)C)OC)OC

InChI

InChI=1S/C19H29NO4/c1-8-24-17(21)11-14-12-9-15(22-6)16(23-7)10-13(12)18(2,3)19(4,5)20-14/h9-10,14,20H,8,11H2,1-7H3/p+1/t14-/m0/s1