(1R)-6-ethoxy-1-(4-ethoxy-3-methoxy-phenyl)-7-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: (1R)-6-ethoxy-1-(4-ethoxy-3-methoxy-phenyl)-7-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: (1R)-6-ethoxy-1-(4-ethoxy-3-methoxy-phenyl)-7-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: (1R)-6-ethoxy-1-(4-ethoxy-3-methoxyphenyl)-7-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: (1R)-6-ethoxy-1-(4-ethoxy-3-methoxyphenyl)-7-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: (1R)-6-ethoxy-1-(4-ethoxy-3-methoxy-phenyl)-7-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C21H28NO4+ MolecularWeight: 358.45132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2C3=CC(=C(C=C3CC[NH2+]2)OCC)OC)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)[C@@H]2C3=CC(=C(C=C3CC[NH2+]2)OCC)OC)OC

InChI

InChI=1S/C21H27NO4/c1-5-25-17-8-7-15(12-18(17)23-3)21-16-13-19(24-4)20(26-6-2)11-14(16)9-10-22-21/h7-8,11-13,21-22H,5-6,9-10H2,1-4H3/p+1/t21-/m1/s1