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

Systemtic Name: methyl 3-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethanoylamino]-6-methoxy-1H-indole-2-carboxylate Openeye Name: methyl 3-[[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetyl]amino]-6-methoxy-1H-indole-2-carboxylate CAS Name: 3-[[2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-6-methoxy-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetyl]amino]-6-methoxy-1H-indole-2-carboxylate Traditional Name: 3-[[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetyl]amino]-6-methoxy-1H-indole-2-carboxylic acid methyl ester Formula: C23H26FN4O4+ MolecularWeight: 441.475343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(N2)C(=O)OC)NC(=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(N2)C(=O)OC)NC(=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H25FN4O4/c1-31-17-7-8-18-19(13-17)25-22(23(30)32-2)21(18)26-20(29)14-27-9-11-28(12-10-27)16-5-3-15(24)4-6-16/h3-8,13,25H,9-12,14H2,1-2H3,(H,26,29)/p+1