(1R)-6,7-diethoxy-1-(4-ethoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: (1R)-6,7-diethoxy-1-(4-ethoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: (1R)-6,7-diethoxy-1-(4-ethoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: (1R)-6,7-diethoxy-1-(4-ethoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: (1R)-6,7-diethoxy-1-(4-ethoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: (1R)-6,7-diethoxy-1-p-phenetyl-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C21H28NO3+ MolecularWeight: 342.45192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO3/c1-4-23-17-9-7-15(8-10-17)21-18-14-20(25-6-3)19(24-5-2)13-16(18)11-12-22-21/h7-10,13-14,21-22H,4-6,11-12H2,1-3H3/p+1/t21-/m1/s1