2-[(4R,5R)-4-(4-methoxyphenyl)-2,2-dimethyl-1,3-dioxan-5-yl]-3,4-dihydroisoquinolin-2-ium

Systemtic Name: 2-[(4R,5R)-4-(4-methoxyphenyl)-2,2-dimethyl-1,3-dioxan-5-yl]-3,4-dihydroisoquinolin-2-ium Openeye Name: 2-[(4R,5R)-4-(4-methoxyphenyl)-2,2-dimethyl-1,3-dioxan-5-yl]-3,4-dihydroisoquinolin-2-ium CAS Name: 2-[(4R,5R)-4-(4-methoxyphenyl)-2,2-dimethyl-1,3-dioxan-5-yl]-3,4-dihydroisoquinolin-2-ium IUPAC Name: 2-[(4R,5R)-4-(4-methoxyphenyl)-2,2-dimethyl-1,3-dioxan-5-yl]-3,4-dihydroisoquinolin-2-ium Traditional Name: 2-[(4R,5R)-4-(4-methoxyphenyl)-2,2-dimethyl-1,3-dioxan-5-yl]-3,4-dihydroisoquinolin-2-ium Formula: C22H26NO3+ MolecularWeight: 352.44674

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(C(O1)C2=CC=C(C=C2)OC)[N+]3=CC4=CC=CC=C4CC3)C

Isomeric SMILES

CC1(OC[C@H]([C@H](O1)C2=CC=C(C=C2)OC)[N+]3=CC4=CC=CC=C4CC3)C

InChI

InChI=1S/C22H26NO3/c1-22(2)25-15-20(21(26-22)17-8-10-19(24-3)11-9-17)23-13-12-16-6-4-5-7-18(16)14-23/h4-11,14,20-21H,12-13,15H2,1-3H3/q+1/t20-,21-/m1/s1