ethyl 4-[2-(4-ethoxycarbonylpiperazin-1-ium-1-yl)ethanoylamino]-5-methoxy-1,2-dimethyl-indole-3-carboxylate

Systemtic Name: ethyl 4-[2-(4-ethoxycarbonylpiperazin-1-ium-1-yl)ethanoylamino]-5-methoxy-1,2-dimethyl-indole-3-carboxylate Openeye Name: ethyl 4-[[2-(4-ethoxycarbonylpiperazin-1-ium-1-yl)acetyl]amino]-5-methoxy-1,2-dimethyl-indole-3-carboxylate CAS Name: 4-[[2-(4-ethoxycarbonyl-1-piperazin-1-iumyl)-1-oxoethyl]amino]-5-methoxy-1,2-dimethyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-ethoxycarbonylpiperazin-1-ium-1-yl)acetyl]amino]-5-methoxy-1,2-dimethylindole-3-carboxylate Traditional Name: 4-[[2-(4-carbethoxypiperazin-1-ium-1-yl)acetyl]amino]-5-methoxy-1,2-dimethyl-indole-3-carboxylic acid ethyl ester Formula: C23H33N4O6+ MolecularWeight: 461.53132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)OC)NC(=O)C[NH+]3CCN(CC3)C(=O)OCC)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)OC)NC(=O)C[NH+]3CCN(CC3)C(=O)OCC)C)C

InChI

InChI=1S/C23H32N4O6/c1-6-32-22(29)19-15(3)25(4)16-8-9-17(31-5)21(20(16)19)24-18(28)14-26-10-12-27(13-11-26)23(30)33-7-2/h8-9H,6-7,10-14H2,1-5H3,(H,24,28)/p+1