ethyl 5-oxidanyl-1-phenyl-2-(piperidin-1-ium-1-ylmethyl)indole-3-carboxylate

Systemtic Name: ethyl 5-oxidanyl-1-phenyl-2-(piperidin-1-ium-1-ylmethyl)indole-3-carboxylate Openeye Name: ethyl 5-hydroxy-1-phenyl-2-(piperidin-1-ium-1-ylmethyl)indole-3-carboxylate CAS Name: 5-hydroxy-1-phenyl-2-(1-piperidin-1-iumylmethyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-hydroxy-1-phenyl-2-(piperidin-1-ium-1-ylmethyl)indole-3-carboxylate Traditional Name: 5-hydroxy-1-phenyl-2-(piperidin-1-ium-1-ylmethyl)indole-3-carboxylic acid ethyl ester Formula: C23H27N2O3+ MolecularWeight: 379.47208

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)O)C3=CC=CC=C3)C[NH+]4CCCCC4

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)O)C3=CC=CC=C3)C[NH+]4CCCCC4

InChI

InChI=1S/C23H26N2O3/c1-2-28-23(27)22-19-15-18(26)11-12-20(19)25(17-9-5-3-6-10-17)21(22)16-24-13-7-4-8-14-24/h3,5-6,9-12,15,26H,2,4,7-8,13-14,16H2,1H3/p+1