1-[(5S)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-3-(4-methoxyphenyl)propan-2-one

Systemtic Name: 1-[(5S)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-3-(4-methoxyphenyl)propan-2-one Openeye Name: 1-[(5S)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-3-(4-methoxyphenyl)propan-2-one CAS Name: 1-[(5S)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-3-(4-methoxyphenyl)-2-propanone IUPAC Name: 1-[(5S)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-3-(4-methoxyphenyl)propan-2-one Traditional Name: 1-[(5S)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxol[4,5-g]isoquinolin-6-ium-5-yl]-3-(4-methoxyphenyl)acetone Formula: C22H26NO5+ MolecularWeight: 384.44554

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC2=CC3=C(C(=C2C1CC(=O)CC4=CC=C(C=C4)OC)OC)OCO3

Isomeric SMILES

C[NH+]1CCC2=CC3=C(C(=C2[C@@H]1CC(=O)CC4=CC=C(C=C4)OC)OC)OCO3

InChI

InChI=1S/C22H25NO5/c1-23-9-8-15-11-19-21(28-13-27-19)22(26-3)20(15)18(23)12-16(24)10-14-4-6-17(25-2)7-5-14/h4-7,11,18H,8-10,12-13H2,1-3H3/p+1/t18-/m0/s1