ethyl 1-(4-methoxyphenyl)-2-methyl-5-oxidanyl-4-(piperidin-1-ium-1-ylmethyl)indole-3-carboxylate

Systemtic Name: ethyl 1-(4-methoxyphenyl)-2-methyl-5-oxidanyl-4-(piperidin-1-ium-1-ylmethyl)indole-3-carboxylate Openeye Name: ethyl 5-hydroxy-1-(4-methoxyphenyl)-2-methyl-4-(piperidin-1-ium-1-ylmethyl)indole-3-carboxylate CAS Name: 5-hydroxy-1-(4-methoxyphenyl)-2-methyl-4-(1-piperidin-1-iumylmethyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-hydroxy-1-(4-methoxyphenyl)-2-methyl-4-(piperidin-1-ium-1-ylmethyl)indole-3-carboxylate Traditional Name: 5-hydroxy-1-(4-methoxyphenyl)-2-methyl-4-(piperidin-1-ium-1-ylmethyl)indole-3-carboxylic acid ethyl ester Formula: C25H31N2O4+ MolecularWeight: 423.52464

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)O)C[NH+]3CCCCC3)C4=CC=C(C=C4)OC)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)O)C[NH+]3CCCCC3)C4=CC=C(C=C4)OC)C

InChI

InChI=1S/C25H30N2O4/c1-4-31-25(29)23-17(2)27(18-8-10-19(30-3)11-9-18)21-12-13-22(28)20(24(21)23)16-26-14-6-5-7-15-26/h8-13,28H,4-7,14-16H2,1-3H3/p+1