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

Systemtic Name: (1R)-6-ethoxy-1-(4-ethylphenyl)-7-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: (1R)-6-ethoxy-1-(4-ethylphenyl)-7-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: (1R)-6-ethoxy-1-(4-ethylphenyl)-7-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: (1R)-6-ethoxy-1-(4-ethylphenyl)-7-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: (1R)-6-ethoxy-1-(4-ethylphenyl)-7-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C20H26NO2+ MolecularWeight: 312.42594

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2C3=CC(=C(C=C3CC[NH2+]2)OCC)OC

Isomeric SMILES

CCC1=CC=C(C=C1)[C@@H]2C3=CC(=C(C=C3CC[NH2+]2)OCC)OC

InChI

InChI=1S/C20H25NO2/c1-4-14-6-8-15(9-7-14)20-17-13-18(22-3)19(23-5-2)12-16(17)10-11-21-20/h6-9,12-13,20-21H,4-5,10-11H2,1-3H3/p+1/t20-/m1/s1