ethyl 5-[3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]-2-oxidanyl-propoxy]-1,2-dimethyl-indole-3-carboxylate

Systemtic Name: ethyl 5-[3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]-2-oxidanyl-propoxy]-1,2-dimethyl-indole-3-carboxylate Openeye Name: ethyl 5-[2-hydroxy-3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propoxy]-1,2-dimethyl-indole-3-carboxylate CAS Name: 5-[2-hydroxy-3-[4-(2-hydroxyethyl)-1-piperazine-1,4-diiumyl]propoxy]-1,2-dimethyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-hydroxy-3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propoxy]-1,2-dimethylindole-3-carboxylate Traditional Name: 5-[2-hydroxy-3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propoxy]-1,2-dimethyl-indole-3-carboxylic acid ethyl ester Formula: C22H35N3O5+2 MolecularWeight: 421.5304

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(C[NH+]3CC[NH+](CC3)CCO)O)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(C[NH+]3CC[NH+](CC3)CCO)O)C)C

InChI

InChI=1S/C22H33N3O5/c1-4-29-22(28)21-16(2)23(3)20-6-5-18(13-19(20)21)30-15-17(27)14-25-9-7-24(8-10-25)11-12-26/h5-6,13,17,26-27H,4,7-12,14-15H2,1-3H3/p+2