3-[(5R,6S)-6-methyl-5-[(3,4,5-trimethoxyphenyl)methyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-6-yl]propyl sulfate

Systemtic Name: 3-[(5R,6S)-6-methyl-5-[(3,4,5-trimethoxyphenyl)methyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-6-yl]propyl sulfate Openeye Name: 3-[(5R,6S)-6-methyl-5-[(3,4,5-trimethoxyphenyl)methyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-6-yl]propyl sulfate CAS Name: 3-[(5R,6S)-6-methyl-5-[(3,4,5-trimethoxyphenyl)methyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-6-yl]propyl sulfate IUPAC Name: 3-[(5R,6S)-6-methyl-5-[(3,4,5-trimethoxyphenyl)methyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-6-yl]propyl sulfate Traditional Name: 3-[(5R,6S)-6-methyl-5-(3,4,5-trimethoxybenzyl)-7,8-dihydro-5H-[1,3]dioxol[4,5-g]isoquinolin-6-ium-6-yl]propyl sulfate Formula: C24H31NO9S MolecularWeight: 509.56924

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC2=CC3=C(C=C2C1CC4=CC(=C(C(=C4)OC)OC)OC)OCO3)CCCOS(=O)(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C24H31NO9S/c1-25(7-5-9-34-35(26,27)28)8-6-17-13-20-21(33-15-32-20)14-18(17)19(25)10-16-11-22(29-2)24(31-4)23(12-16)30-3/h11-14,19H,5-10,15H2,1-4H3/t19-,25-/m1/s1