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

Systemtic Name: methyl 3-[3-(4-ethoxycarbonylpiperidin-1-ium-1-yl)propanoylamino]-5-fluoranyl-1H-indole-2-carboxylate Openeye Name: methyl 3-[3-(4-ethoxycarbonylpiperidin-1-ium-1-yl)propanoylamino]-5-fluoro-1H-indole-2-carboxylate CAS Name: 3-[[3-(4-ethoxycarbonyl-1-piperidin-1-iumyl)-1-oxopropyl]amino]-5-fluoro-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[3-(4-ethoxycarbonylpiperidin-1-ium-1-yl)propanoylamino]-5-fluoro-1H-indole-2-carboxylate Traditional Name: 3-[3-(4-carbethoxypiperidin-1-ium-1-yl)propanoylamino]-5-fluoro-1H-indole-2-carboxylic acid methyl ester Formula: C21H27FN3O5+ MolecularWeight: 420.454583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26FN3O5/c1-3-30-20(27)13-6-9-25(10-7-13)11-8-17(26)24-18-15-12-14(22)4-5-16(15)23-19(18)21(28)29-2/h4-5,12-13,23H,3,6-11H2,1-2H3,(H,24,26)/p+1