methyl 3-[3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propanoylamino]-4-methoxy-1H-indole-2-carboxylate

Systemtic Name: methyl 3-[3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propanoylamino]-4-methoxy-1H-indole-2-carboxylate Openeye Name: methyl 3-[3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propanoylamino]-4-methoxy-1H-indole-2-carboxylate CAS Name: 3-[[3-[4-(2-fluorophenyl)-1-piperazin-1-iumyl]-1-oxopropyl]amino]-4-methoxy-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propanoylamino]-4-methoxy-1H-indole-2-carboxylate Traditional Name: 3-[3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propanoylamino]-4-methoxy-1H-indole-2-carboxylic acid methyl ester Formula: C24H28FN4O4+ MolecularWeight: 455.501923

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1C(=C(N2)C(=O)OC)NC(=O)CC[NH+]3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

COC1=CC=CC2=C1C(=C(N2)C(=O)OC)NC(=O)CC[NH+]3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C24H27FN4O4/c1-32-19-9-5-7-17-21(19)22(23(26-17)24(31)33-2)27-20(30)10-11-28-12-14-29(15-13-28)18-8-4-3-6-16(18)25/h3-9,26H,10-15H2,1-2H3,(H,27,30)/p+1