ethyl 4-[[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methoxy]benzoate

Systemtic Name: ethyl 4-[[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methoxy]benzoate Openeye Name: ethyl 4-[[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methoxy]benzoate CAS Name: 4-[[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methoxy]benzoate Traditional Name: 4-[[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methoxy]benzoic acid ethyl ester Formula: C21H26NO5+ MolecularWeight: 372.43484

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OCC2C3=CC(=C(C=C3CC[NH2+]2)OC)OC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC[C@@H]2C3=CC(=C(C=C3CC[NH2+]2)OC)OC

InChI

InChI=1S/C21H25NO5/c1-4-26-21(23)14-5-7-16(8-6-14)27-13-18-17-12-20(25-3)19(24-2)11-15(17)9-10-22-18/h5-8,11-12,18,22H,4,9-10,13H2,1-3H3/p+1/t18-/m1/s1