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

Systemtic Name: 1-(3,4-dimethoxyphenyl)-3-[(5S)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]propan-2-one Openeye Name: 1-(3,4-dimethoxyphenyl)-3-[(5S)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]propan-2-one CAS Name: 1-(3,4-dimethoxyphenyl)-3-[(5S)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-2-propanone IUPAC Name: 1-(3,4-dimethoxyphenyl)-3-[(5S)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]propan-2-one Traditional Name: 1-(3,4-dimethoxyphenyl)-3-[(5S)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxol[4,5-g]isoquinolin-6-ium-5-yl]acetone Formula: C23H28NO6+ MolecularWeight: 414.47152

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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)OC)OCO3

Isomeric SMILES

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

InChI

InChI=1S/C23H27NO6/c1-24-8-7-15-11-20-22(30-13-29-20)23(28-4)21(15)17(24)12-16(25)9-14-5-6-18(26-2)19(10-14)27-3/h5-6,10-11,17H,7-9,12-13H2,1-4H3/p+1/t17-/m0/s1