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

Systemtic Name: ethyl 2-methyl-1-(4-methylphenyl)-5-[3-(4-methylpiperazine-1,4-diium-1-yl)-2-oxidanyl-propoxy]indole-3-carboxylate Openeye Name: ethyl 5-[2-hydroxy-3-(4-methylpiperazine-1,4-diium-1-yl)propoxy]-2-methyl-1-(p-tolyl)indole-3-carboxylate CAS Name: 5-[2-hydroxy-3-(4-methyl-1-piperazine-1,4-diiumyl)propoxy]-2-methyl-1-(4-methylphenyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-hydroxy-3-(4-methylpiperazine-1,4-diium-1-yl)propoxy]-2-methyl-1-(4-methylphenyl)indole-3-carboxylate Traditional Name: 5-[2-hydroxy-3-(4-methylpiperazine-1,4-diium-1-yl)propoxy]-2-methyl-1-(p-tolyl)indole-3-carboxylic acid ethyl ester Formula: C27H37N3O4+2 MolecularWeight: 467.60038

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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)C4=CC=C(C=C4)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(C[NH+]3CC[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+2