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

Systemtic Name: methyl 6-methoxy-3-[3-[4-(phenylmethyl)piperazin-1-ium-1-yl]propanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 3-[3-(4-benzylpiperazin-1-ium-1-yl)propanoylamino]-6-methoxy-1H-indole-2-carboxylate CAS Name: 6-methoxy-3-[[1-oxo-3-[4-(phenylmethyl)-1-piperazin-1-iumyl]propyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[3-(4-benzylpiperazin-1-ium-1-yl)propanoylamino]-6-methoxy-1H-indole-2-carboxylate Traditional Name: 3-[3-(4-benzylpiperazin-1-ium-1-yl)propanoylamino]-6-methoxy-1H-indole-2-carboxylic acid methyl ester Formula: C25H31N4O4+ MolecularWeight: 451.53804

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)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(N2)C(=O)OC)NC(=O)CC[NH+]3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H30N4O4/c1-32-19-8-9-20-21(16-19)26-24(25(31)33-2)23(20)27-22(30)10-11-28-12-14-29(15-13-28)17-18-6-4-3-5-7-18/h3-9,16,26H,10-15,17H2,1-2H3,(H,27,30)/p+1