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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CCC(=O)NC3=C(NC4=C3C=C(C=C4)F)C(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CCC(=O)NC3=C(NC4=C3C=C(C=C4)F)C(=O)OC

InChI

InChI=1S/C24H26ClFN4O3/c1-15-3-4-16(25)13-20(15)30-11-9-29(10-12-30)8-7-21(31)28-22-18-14-17(26)5-6-19(18)27-23(22)24(32)33-2/h3-6,13-14,27H,7-12H2,1-2H3,(H,28,31)/p+1