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

Systemtic Name: methyl 3-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethanoylamino]-4-methoxy-1H-indole-2-carboxylate Openeye Name: methyl 3-[[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetyl]amino]-4-methoxy-1H-indole-2-carboxylate CAS Name: 3-[[2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-4-methoxy-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetyl]amino]-4-methoxy-1H-indole-2-carboxylate Traditional Name: 3-[[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetyl]amino]-4-methoxy-1H-indole-2-carboxylic acid methyl ester Formula: C23H26FN4O4+ MolecularWeight: 441.475343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25FN4O4/c1-31-18-5-3-4-17-20(18)21(22(25-17)23(30)32-2)26-19(29)14-27-10-12-28(13-11-27)16-8-6-15(24)7-9-16/h3-9,25H,10-14H2,1-2H3,(H,26,29)/p+1