ethyl 5-bromanyl-3-[3-(4-ethoxycarbonylpiperidin-1-ium-1-yl)propanoylamino]-1H-indole-2-carboxylate

Systemtic Name: ethyl 5-bromanyl-3-[3-(4-ethoxycarbonylpiperidin-1-ium-1-yl)propanoylamino]-1H-indole-2-carboxylate Openeye Name: ethyl 5-bromo-3-[3-(4-ethoxycarbonylpiperidin-1-ium-1-yl)propanoylamino]-1H-indole-2-carboxylate CAS Name: 5-bromo-3-[[3-(4-ethoxycarbonyl-1-piperidin-1-iumyl)-1-oxopropyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-[3-(4-ethoxycarbonylpiperidin-1-ium-1-yl)propanoylamino]-1H-indole-2-carboxylate Traditional Name: 5-bromo-3-[3-(4-carbethoxypiperidin-1-ium-1-yl)propanoylamino]-1H-indole-2-carboxylic acid ethyl ester Formula: C22H29BrN3O5+ MolecularWeight: 495.38676

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CCC(=O)NC2=C(NC3=C2C=C(C=C3)Br)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CCC(=O)NC2=C(NC3=C2C=C(C=C3)Br)C(=O)OCC

InChI

InChI=1S/C22H28BrN3O5/c1-3-30-21(28)14-7-10-26(11-8-14)12-9-18(27)25-19-16-13-15(23)5-6-17(16)24-20(19)22(29)31-4-2/h5-6,13-14,24H,3-4,7-12H2,1-2H3,(H,25,27)/p+1