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

Systemtic Name: ethyl 3-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethanoylamino]-5-fluoranyl-1H-indole-2-carboxylate Openeye Name: ethyl 3-[[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetyl]amino]-5-fluoro-1H-indole-2-carboxylate CAS Name: 3-[[2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-5-fluoro-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetyl]amino]-5-fluoro-1H-indole-2-carboxylate Traditional Name: 3-[[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetyl]amino]-5-fluoro-1H-indole-2-carboxylic acid ethyl ester Formula: C23H25ClFN4O3+ MolecularWeight: 459.921003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)F)NC(=O)C[NH+]3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)F)NC(=O)C[NH+]3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C23H24ClFN4O3/c1-2-32-23(31)22-21(18-13-16(25)6-7-19(18)26-22)27-20(30)14-28-8-10-29(11-9-28)17-5-3-4-15(24)12-17/h3-7,12-13,26H,2,8-11,14H2,1H3,(H,27,30)/p+1