ethyl 3-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylamino]-1H-indole-2-carboxylate

Systemtic Name: ethyl 3-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylamino]-1H-indole-2-carboxylate Openeye Name: ethyl 3-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylamino]-1H-indole-2-carboxylate CAS Name: 3-[[1-oxo-3-(4-phenyl-1-piperazin-1-iumyl)propyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylamino]-1H-indole-2-carboxylate Traditional Name: 3-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylamino]-1H-indole-2-carboxylic acid ethyl ester Formula: C24H29N4O3+ MolecularWeight: 421.51206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N4O3/c1-2-31-24(30)23-22(19-10-6-7-11-20(19)25-23)26-21(29)12-13-27-14-16-28(17-15-27)18-8-4-3-5-9-18/h3-11,25H,2,12-17H2,1H3,(H,26,29)/p+1