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

Systemtic Name: methyl 3-[3-(4-ethoxycarbonylpiperazin-1-ium-1-yl)propanoylamino]-5-fluoranyl-1H-indole-2-carboxylate Openeye Name: methyl 3-[3-(4-ethoxycarbonylpiperazin-1-ium-1-yl)propanoylamino]-5-fluoro-1H-indole-2-carboxylate CAS Name: 3-[[3-(4-ethoxycarbonyl-1-piperazin-1-iumyl)-1-oxopropyl]amino]-5-fluoro-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[3-(4-ethoxycarbonylpiperazin-1-ium-1-yl)propanoylamino]-5-fluoro-1H-indole-2-carboxylate Traditional Name: 3-[3-(4-carbethoxypiperazin-1-ium-1-yl)propanoylamino]-5-fluoro-1H-indole-2-carboxylic acid methyl ester Formula: C20H26FN4O5+ MolecularWeight: 421.442643

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CCC(=O)NC2=C(NC3=C2C=C(C=C3)F)C(=O)OC

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CCC(=O)NC2=C(NC3=C2C=C(C=C3)F)C(=O)OC

InChI

InChI=1S/C20H25FN4O5/c1-3-30-20(28)25-10-8-24(9-11-25)7-6-16(26)23-17-14-12-13(21)4-5-15(14)22-18(17)19(27)29-2/h4-5,12,22H,3,6-11H2,1-2H3,(H,23,26)/p+1