2-(2-ethoxy-1,5,6-trimethoxy-phenanthren-4-yl)ethyl-trimethyl-azanium; methyl sulfate

Systemtic Name: 2-(2-ethoxy-1,5,6-trimethoxy-phenanthren-4-yl)ethyl-trimethyl-azanium; methyl sulfate Openeye Name: 2-(2-ethoxy-1,5,6-trimethoxy-4-phenanthryl)ethyl-trimethyl-ammonium; methyl sulfate CAS Name: 2-(2-ethoxy-1,5,6-trimethoxy-4-phenanthrenyl)ethyl-trimethylammonium; methyl sulfate IUPAC Name: 2-(2-ethoxy-1,5,6-trimethoxyphenanthren-4-yl)ethyl-trimethylazanium; methyl sulfate Traditional Name: 2-(2-ethoxy-1,5,6-trimethoxy-4-phenanthryl)ethyl-trimethyl-ammonium; methyl sulfate Formula: C25H35NO8S MolecularWeight: 509.6123

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C2=C(C(=C1)CC[N+](C)(C)C)C3=C(C=C2)C=CC(=C3OC)OC)OC.COS(=O)(=O)[O-]

Isomeric SMILES

CCOC1=C(C2=C(C(=C1)CC[N+](C)(C)C)C3=C(C=C2)C=CC(=C3OC)OC)OC.COS(=O)(=O)[O-]

InChI

InChI=1S/C24H32NO4.CH4O4S/c1-8-29-20-15-17(13-14-25(2,3)4)21-18(23(20)27-6)11-9-16-10-12-19(26-5)24(28-7)22(16)21;1-5-6(2,3)4/h9-12,15H,8,13-14H2,1-7H3;1H3,(H,2,3,4)/q+1;/p-1