3-[(1R,2S)-6,7,8-trimethoxy-2-methyl-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propyl sulfate

Systemtic Name: 3-[(1R,2S)-6,7,8-trimethoxy-2-methyl-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propyl sulfate Openeye Name: 3-[(1R,2S)-6,7,8-trimethoxy-2-methyl-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propyl sulfate CAS Name: 3-[(1R,2S)-6,7,8-trimethoxy-2-methyl-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propyl sulfate IUPAC Name: 3-[(1R,2S)-6,7,8-trimethoxy-2-methyl-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propyl sulfate Traditional Name: 3-[(1R,2S)-6,7,8-trimethoxy-2-methyl-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propyl sulfate Formula: C25H35NO10S MolecularWeight: 541.6111

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC2=CC(=C(C(=C2C1C3=CC(=C(C(=C3)OC)OC)OC)OC)OC)OC)CCCOS(=O)(=O)[O-]

Isomeric SMILES

C[N@+]1(CCC2=CC(=C(C(=C2[C@H]1C3=CC(=C(C(=C3)OC)OC)OC)OC)OC)OC)CCCOS(=O)(=O)[O-]

InChI

InChI=1S/C25H35NO10S/c1-26(10-8-12-36-37(27,28)29)11-9-16-13-20(32-4)24(34-6)25(35-7)21(16)22(26)17-14-18(30-2)23(33-5)19(15-17)31-3/h13-15,22H,8-12H2,1-7H3/t22-,26-/m1/s1