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

Systemtic Name: ethyl 5-acetyloxy-1-phenyl-2-(piperidin-1-ium-1-ylmethyl)indole-3-carboxylate Openeye Name: ethyl 5-acetoxy-1-phenyl-2-(piperidin-1-ium-1-ylmethyl)indole-3-carboxylate CAS Name: 5-acetyloxy-1-phenyl-2-(1-piperidin-1-iumylmethyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyloxy-1-phenyl-2-(piperidin-1-ium-1-ylmethyl)indole-3-carboxylate Traditional Name: 5-acetoxy-1-phenyl-2-(piperidin-1-ium-1-ylmethyl)indole-3-carboxylic acid ethyl ester Formula: C25H29N2O4+ MolecularWeight: 421.50876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O4/c1-3-30-25(29)24-21-16-20(31-18(2)28)12-13-22(21)27(19-10-6-4-7-11-19)23(24)17-26-14-8-5-9-15-26/h4,6-7,10-13,16H,3,5,8-9,14-15,17H2,1-2H3/p+1