ethyl 5-fluoranyl-3-[2-[(3S)-4-(4-methoxyphenyl)-3-methyl-piperazin-1-ium-1-yl]ethanoylamino]-1H-indole-2-carboxylate

Systemtic Name: ethyl 5-fluoranyl-3-[2-[(3S)-4-(4-methoxyphenyl)-3-methyl-piperazin-1-ium-1-yl]ethanoylamino]-1H-indole-2-carboxylate Openeye Name: ethyl 5-fluoro-3-[[2-[(3S)-4-(4-methoxyphenyl)-3-methyl-piperazin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylate CAS Name: 5-fluoro-3-[[2-[(3S)-4-(4-methoxyphenyl)-3-methyl-1-piperazin-1-iumyl]-1-oxoethyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-fluoro-3-[[2-[(3S)-4-(4-methoxyphenyl)-3-methylpiperazin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylate Traditional Name: 5-fluoro-3-[[2-[(3S)-4-(4-methoxyphenyl)-3-methyl-piperazin-1-ium-1-yl]acetyl]amino]-1H-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(N1)C=CC(=C2)F)NC(=O)C[NH+]3CCN(C(C3)C)C4=CC=C(C=C4)OC

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)F)NC(=O)C[NH+]3CCN([C@H](C3)C)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H29FN4O4/c1-4-34-25(32)24-23(20-13-17(26)5-10-21(20)27-24)28-22(31)15-29-11-12-30(16(2)14-29)18-6-8-19(33-3)9-7-18/h5-10,13,16,27H,4,11-12,14-15H2,1-3H3,(H,28,31)/p+1/t16-/m0/s1