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

Systemtic Name: ethyl 2-methyl-1-(4-methylphenyl)-5-[(2S)-3-(4-methylpiperidin-1-ium-1-yl)-2-oxidanyl-propoxy]indole-3-carboxylate Openeye Name: ethyl 5-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-ium-1-yl)propoxy]-2-methyl-1-(p-tolyl)indole-3-carboxylate CAS Name: 5-[(2S)-2-hydroxy-3-(4-methyl-1-piperidin-1-iumyl)propoxy]-2-methyl-1-(4-methylphenyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-ium-1-yl)propoxy]-2-methyl-1-(4-methylphenyl)indole-3-carboxylate Traditional Name: 5-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-ium-1-yl)propoxy]-2-methyl-1-(p-tolyl)indole-3-carboxylic acid ethyl ester Formula: C28H37N2O4+ MolecularWeight: 465.60438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(C[NH+]3CCC(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](C[NH+]3CCC(CC3)C)O)C4=CC=C(C=C4)C)C

InChI

InChI=1S/C28H36N2O4/c1-5-33-28(32)27-21(4)30(22-8-6-19(2)7-9-22)26-11-10-24(16-25(26)27)34-18-23(31)17-29-14-12-20(3)13-15-29/h6-11,16,20,23,31H,5,12-15,17-18H2,1-4H3/p+1/t23-/m0/s1