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

Systemtic Name: methyl 3-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethanoylamino]-1,4-dimethyl-indole-2-carboxylate Openeye Name: methyl 3-[[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetyl]amino]-1,4-dimethyl-indole-2-carboxylate CAS Name: 3-[[2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-1,4-dimethyl-2-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetyl]amino]-1,4-dimethylindole-2-carboxylate Traditional Name: 3-[[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetyl]amino]-1,4-dimethyl-indole-2-carboxylic acid methyl ester Formula: C24H28FN4O3+ MolecularWeight: 439.502523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N(C(=C2NC(=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)F)C(=O)OC)C

Isomeric SMILES

CC1=C2C(=CC=C1)N(C(=C2NC(=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)F)C(=O)OC)C

InChI

InChI=1S/C24H27FN4O3/c1-16-5-4-6-19-21(16)22(23(27(19)2)24(31)32-3)26-20(30)15-28-11-13-29(14-12-28)18-9-7-17(25)8-10-18/h4-10H,11-15H2,1-3H3,(H,26,30)/p+1