ethyl 4,6-bis(dimethylaminomethyl)-1,2-dimethyl-5-oxidanyl-indole-3-carboxylate hydrate dihydrochloride

Systemtic Name: ethyl 4,6-bis(dimethylaminomethyl)-1,2-dimethyl-5-oxidanyl-indole-3-carboxylate hydrate dihydrochloride Openeye Name: ethyl 4,6-bis(dimethylaminomethyl)-5-hydroxy-1,2-dimethyl-indole-3-carboxylate hydrate dihydrochloride CAS Name: 4,6-bis(dimethylaminomethyl)-5-hydroxy-1,2-dimethyl-3-indolecarboxylic acid ethyl ester hydrate dihydrochloride IUPAC Name: ethyl 4,6-bis(dimethylaminomethyl)-5-hydroxy-1,2-dimethylindole-3-carboxylate hydrate dihydrochloride Traditional Name: 4,6-bis(dimethylaminomethyl)-5-hydroxy-1,2-dimethyl-indole-3-carboxylic acid ethyl ester hydrate dihydrochloride Formula: C19H33Cl2N3O4 MolecularWeight: 438.38902

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C(=C(C(=C2)CN(C)C)O)CN(C)C)C)C.O.Cl.Cl

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C(=C(C(=C2)CN(C)C)O)CN(C)C)C)C.O.Cl.Cl

InChI

InChI=1S/C19H29N3O3.2ClH.H2O/c1-8-25-19(24)16-12(2)22(7)15-9-13(10-20(3)4)18(23)14(17(15)16)11-21(5)6;;;/h9,23H,8,10-11H2,1-7H3;2*1H;1H2