ethyl 2-methyl-1-(4-methylphenyl)-5-[(2R)-3-(4-methylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]indole-3-carboxylate

Systemtic Name: ethyl 2-methyl-1-(4-methylphenyl)-5-[(2R)-3-(4-methylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]indole-3-carboxylate Openeye Name: ethyl 5-[(2R)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]-2-methyl-1-(p-tolyl)indole-3-carboxylate CAS Name: 5-[(2R)-2-hydroxy-3-(4-methyl-1-piperazin-4-iumyl)propoxy]-2-methyl-1-(4-methylphenyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2R)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]-2-methyl-1-(4-methylphenyl)indole-3-carboxylate Traditional Name: 5-[(2R)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]-2-methyl-1-(p-tolyl)indole-3-carboxylic acid ethyl ester Formula: C27H36N3O4+ MolecularWeight: 466.59244

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(CN3CC[NH+](CC3)C)O)C4=CC=C(C=C4)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OC[C@@H](CN3CC[NH+](CC3)C)O)C4=CC=C(C=C4)C)C

InChI

InChI=1S/C27H35N3O4/c1-5-33-27(32)26-20(3)30(21-8-6-19(2)7-9-21)25-11-10-23(16-24(25)26)34-18-22(31)17-29-14-12-28(4)13-15-29/h6-11,16,22,31H,5,12-15,17-18H2,1-4H3/p+1/t22-/m1/s1