ethyl 3-[2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]ethanoylamino]-5-methoxy-1-methyl-indole-2-carboxylate

Systemtic Name: ethyl 3-[2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]ethanoylamino]-5-methoxy-1-methyl-indole-2-carboxylate Openeye Name: ethyl 3-[[2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]acetyl]amino]-5-methoxy-1-methyl-indole-2-carboxylate CAS Name: 3-[[2-[4-(2-fluorophenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-5-methoxy-1-methyl-2-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]acetyl]amino]-5-methoxy-1-methylindole-2-carboxylate Traditional Name: 3-[[2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]acetyl]amino]-5-methoxy-1-methyl-indole-2-carboxylic acid ethyl ester Formula: C25H30FN4O4+ MolecularWeight: 469.528503

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1C)C=CC(=C2)OC)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1C)C=CC(=C2)OC)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C25H29FN4O4/c1-4-34-25(32)24-23(18-15-17(33-3)9-10-20(18)28(24)2)27-22(31)16-29-11-13-30(14-12-29)21-8-6-5-7-19(21)26/h5-10,15H,4,11-14,16H2,1-3H3,(H,27,31)/p+1