methyl 6-methoxy-3-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylamino]-1H-indole-2-carboxylate

Systemtic Name: methyl 6-methoxy-3-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 6-methoxy-3-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylamino]-1H-indole-2-carboxylate CAS Name: 6-methoxy-3-[[1-oxo-3-(4-phenyl-1-piperazin-1-iumyl)propyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 6-methoxy-3-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylamino]-1H-indole-2-carboxylate Traditional Name: 6-methoxy-3-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylamino]-1H-indole-2-carboxylic acid methyl ester Formula: C24H29N4O4+ MolecularWeight: 437.51146

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)CC[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C24H28N4O4/c1-31-18-8-9-19-20(16-18)25-23(24(30)32-2)22(19)26-21(29)10-11-27-12-14-28(15-13-27)17-6-4-3-5-7-17/h3-9,16,25H,10-15H2,1-2H3,(H,26,29)/p+1