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

Systemtic Name: ethyl 1,2-dimethyl-5-[(2S)-3-(4-methylpiperazine-1,4-diium-1-yl)-2-oxidanyl-propoxy]indole-3-carboxylate Openeye Name: ethyl 5-[(2S)-2-hydroxy-3-(4-methylpiperazine-1,4-diium-1-yl)propoxy]-1,2-dimethyl-indole-3-carboxylate CAS Name: 5-[(2S)-2-hydroxy-3-(4-methyl-1-piperazine-1,4-diiumyl)propoxy]-1,2-dimethyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2S)-2-hydroxy-3-(4-methylpiperazine-1,4-diium-1-yl)propoxy]-1,2-dimethylindole-3-carboxylate Traditional Name: 5-[(2S)-2-hydroxy-3-(4-methylpiperazine-1,4-diium-1-yl)propoxy]-1,2-dimethyl-indole-3-carboxylic acid ethyl ester Formula: C21H33N3O4+2 MolecularWeight: 391.50442

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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)C)O)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OC[C@H](C[NH+]3CC[NH+](CC3)C)O)C)C

InChI

InChI=1S/C21H31N3O4/c1-5-27-21(26)20-15(2)23(4)19-7-6-17(12-18(19)20)28-14-16(25)13-24-10-8-22(3)9-11-24/h6-7,12,16,25H,5,8-11,13-14H2,1-4H3/p+2/t16-/m0/s1