methyl 3-[3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanoylamino]-5-methyl-1H-indole-2-carboxylate

Systemtic Name: methyl 3-[3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanoylamino]-5-methyl-1H-indole-2-carboxylate Openeye Name: methyl 3-[3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanoylamino]-5-methyl-1H-indole-2-carboxylate CAS Name: 3-[[3-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-1-oxopropyl]amino]-5-methyl-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanoylamino]-5-methyl-1H-indole-2-carboxylate Traditional Name: 3-[3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanoylamino]-5-methyl-1H-indole-2-carboxylic acid methyl ester Formula: C24H28FN4O3+ MolecularWeight: 439.502523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C2NC(=O)CC[NH+]3CCN(CC3)C4=CC=C(C=C4)F)C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C2NC(=O)CC[NH+]3CCN(CC3)C4=CC=C(C=C4)F)C(=O)OC

InChI

InChI=1S/C24H27FN4O3/c1-16-3-8-20-19(15-16)22(23(26-20)24(31)32-2)27-21(30)9-10-28-11-13-29(14-12-28)18-6-4-17(25)5-7-18/h3-8,15,26H,9-14H2,1-2H3,(H,27,30)/p+1