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

Systemtic Name: (1R)-6,7-diethoxy-1-(4-ethoxy-3-methoxy-phenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: (1R)-6,7-diethoxy-1-(4-ethoxy-3-methoxy-phenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: (1R)-6,7-diethoxy-1-(4-ethoxy-3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: (1R)-6,7-diethoxy-1-(4-ethoxy-3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: (1R)-6,7-diethoxy-1-(4-ethoxy-3-methoxy-phenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C22H30NO4+ MolecularWeight: 372.4779

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO4/c1-5-25-18-9-8-16(13-19(18)24-4)22-17-14-21(27-7-3)20(26-6-2)12-15(17)10-11-23-22/h8-9,12-14,22-23H,5-7,10-11H2,1-4H3/p+1/t22-/m1/s1