ethyl 3-[2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]ethanoylamino]-5-fluoranyl-1H-indole-2-carboxylate

Systemtic Name: ethyl 3-[2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]ethanoylamino]-5-fluoranyl-1H-indole-2-carboxylate Openeye Name: ethyl 3-[[2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]acetyl]amino]-5-fluoro-1H-indole-2-carboxylate CAS Name: 3-[[2-[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-5-fluoro-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]acetyl]amino]-5-fluoro-1H-indole-2-carboxylate Traditional Name: 3-[[2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]acetyl]amino]-5-fluoro-1H-indole-2-carboxylic acid ethyl ester Formula: C24H27ClFN4O3+ MolecularWeight: 473.947583

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)F)NC(=O)C[NH+]3CCN(CC3)C4=C(C=CC(=C4)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)F)NC(=O)C[NH+]3CCN(CC3)C4=C(C=CC(=C4)Cl)C

InChI

InChI=1S/C24H26ClFN4O3/c1-3-33-24(32)23-22(18-13-17(26)6-7-19(18)27-23)28-21(31)14-29-8-10-30(11-9-29)20-12-16(25)5-4-15(20)2/h4-7,12-13,27H,3,8-11,14H2,1-2H3,(H,28,31)/p+1