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

Systemtic Name: ethyl 4-[2-(4-ethylpiperazin-1-ium-1-yl)ethanoylamino]-5-methoxy-1,2-dimethyl-indole-3-carboxylate Openeye Name: ethyl 4-[[2-(4-ethylpiperazin-1-ium-1-yl)acetyl]amino]-5-methoxy-1,2-dimethyl-indole-3-carboxylate CAS Name: 4-[[2-(4-ethyl-1-piperazin-1-iumyl)-1-oxoethyl]amino]-5-methoxy-1,2-dimethyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-ethylpiperazin-1-ium-1-yl)acetyl]amino]-5-methoxy-1,2-dimethylindole-3-carboxylate Traditional Name: 4-[[2-(4-ethylpiperazin-1-ium-1-yl)acetyl]amino]-5-methoxy-1,2-dimethyl-indole-3-carboxylic acid ethyl ester Formula: C22H33N4O4+ MolecularWeight: 417.52182

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)CC(=O)NC2=C(C=CC3=C2C(=C(N3C)C)C(=O)OCC)OC

Isomeric SMILES

CCN1CC[NH+](CC1)CC(=O)NC2=C(C=CC3=C2C(=C(N3C)C)C(=O)OCC)OC

InChI

InChI=1S/C22H32N4O4/c1-6-25-10-12-26(13-11-25)14-18(27)23-21-17(29-5)9-8-16-20(21)19(15(3)24(16)4)22(28)30-7-2/h8-9H,6-7,10-14H2,1-5H3,(H,23,27)/p+1