ethyl 5,6-dimethoxy-3-[3-[4-(phenylmethyl)piperazin-1-ium-1-yl]propanoylamino]-1H-indole-2-carboxylate

Systemtic Name: ethyl 5,6-dimethoxy-3-[3-[4-(phenylmethyl)piperazin-1-ium-1-yl]propanoylamino]-1H-indole-2-carboxylate Openeye Name: ethyl 3-[3-(4-benzylpiperazin-1-ium-1-yl)propanoylamino]-5,6-dimethoxy-1H-indole-2-carboxylate CAS Name: 5,6-dimethoxy-3-[[1-oxo-3-[4-(phenylmethyl)-1-piperazin-1-iumyl]propyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[3-(4-benzylpiperazin-1-ium-1-yl)propanoylamino]-5,6-dimethoxy-1H-indole-2-carboxylate Traditional Name: 3-[3-(4-benzylpiperazin-1-ium-1-yl)propanoylamino]-5,6-dimethoxy-1H-indole-2-carboxylic acid ethyl ester Formula: C27H35N4O5+ MolecularWeight: 495.5906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC(=C(C=C2N1)OC)OC)NC(=O)CC[NH+]3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C2=CC(=C(C=C2N1)OC)OC)NC(=O)CC[NH+]3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H34N4O5/c1-4-36-27(33)26-25(20-16-22(34-2)23(35-3)17-21(20)28-26)29-24(32)10-11-30-12-14-31(15-13-30)18-19-8-6-5-7-9-19/h5-9,16-17,28H,4,10-15,18H2,1-3H3,(H,29,32)/p+1