methyl 3-[2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]ethanoylamino]-6-methyl-1H-indole-2-carboxylate

Systemtic Name: methyl 3-[2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]ethanoylamino]-6-methyl-1H-indole-2-carboxylate Openeye Name: methyl 3-[[2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]acetyl]amino]-6-methyl-1H-indole-2-carboxylate CAS Name: 3-[[2-[4-(2-fluorophenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-6-methyl-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]acetyl]amino]-6-methyl-1H-indole-2-carboxylate Traditional Name: 3-[[2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]acetyl]amino]-6-methyl-1H-indole-2-carboxylic acid methyl ester Formula: C23H26FN4O3+ MolecularWeight: 425.475943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(N2)C(=O)OC)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(N2)C(=O)OC)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C23H25FN4O3/c1-15-7-8-16-18(13-15)25-22(23(30)31-2)21(16)26-20(29)14-27-9-11-28(12-10-27)19-6-4-3-5-17(19)24/h3-8,13,25H,9-12,14H2,1-2H3,(H,26,29)/p+1