ethyl 3-[[(2R)-2-(4-ethylpiperazin-1-ium-1-yl)propanoyl]amino]-5-fluoranyl-1H-indole-2-carboxylate

Systemtic Name: ethyl 3-[[(2R)-2-(4-ethylpiperazin-1-ium-1-yl)propanoyl]amino]-5-fluoranyl-1H-indole-2-carboxylate Openeye Name: ethyl 3-[[(2R)-2-(4-ethylpiperazin-1-ium-1-yl)propanoyl]amino]-5-fluoro-1H-indole-2-carboxylate CAS Name: 3-[[(2R)-2-(4-ethyl-1-piperazin-1-iumyl)-1-oxopropyl]amino]-5-fluoro-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[[(2R)-2-(4-ethylpiperazin-1-ium-1-yl)propanoyl]amino]-5-fluoro-1H-indole-2-carboxylate Traditional Name: 3-[[(2R)-2-(4-ethylpiperazin-1-ium-1-yl)propanoyl]amino]-5-fluoro-1H-indole-2-carboxylic acid ethyl ester Formula: C20H28FN4O3+ MolecularWeight: 391.459723

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)C(C)C(=O)NC2=C(NC3=C2C=C(C=C3)F)C(=O)OCC

Isomeric SMILES

CCN1CC[NH+](CC1)[C@H](C)C(=O)NC2=C(NC3=C2C=C(C=C3)F)C(=O)OCC

InChI

InChI=1S/C20H27FN4O3/c1-4-24-8-10-25(11-9-24)13(3)19(26)23-17-15-12-14(21)6-7-16(15)22-18(17)20(27)28-5-2/h6-7,12-13,22H,4-5,8-11H2,1-3H3,(H,23,26)/p+1/t13-/m1/s1