ethyl 3-[3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanoylamino]-5,6-dimethoxy-1H-indole-2-carboxylate

Systemtic Name: ethyl 3-[3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanoylamino]-5,6-dimethoxy-1H-indole-2-carboxylate Openeye Name: ethyl 3-[3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanoylamino]-5,6-dimethoxy-1H-indole-2-carboxylate CAS Name: 3-[[3-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-1-oxopropyl]amino]-5,6-dimethoxy-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanoylamino]-5,6-dimethoxy-1H-indole-2-carboxylate Traditional Name: 3-[3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanoylamino]-5,6-dimethoxy-1H-indole-2-carboxylic acid ethyl ester Formula: C26H32FN4O5+ MolecularWeight: 499.554483

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC(=C(C=C2N1)OC)OC)NC(=O)CC[NH+]3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C1=C(C2=CC(=C(C=C2N1)OC)OC)NC(=O)CC[NH+]3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C26H31FN4O5/c1-4-36-26(33)25-24(19-15-21(34-2)22(35-3)16-20(19)28-25)29-23(32)9-10-30-11-13-31(14-12-30)18-7-5-17(27)6-8-18/h5-8,15-16,28H,4,9-14H2,1-3H3,(H,29,32)/p+1