ethyl 5,6-dimethoxy-3-[2-(4-methylpiperazin-1-ium-1-yl)ethanoylamino]-1H-indole-2-carboxylate

Systemtic Name: ethyl 5,6-dimethoxy-3-[2-(4-methylpiperazin-1-ium-1-yl)ethanoylamino]-1H-indole-2-carboxylate Openeye Name: ethyl 5,6-dimethoxy-3-[[2-(4-methylpiperazin-1-ium-1-yl)acetyl]amino]-1H-indole-2-carboxylate CAS Name: 5,6-dimethoxy-3-[[2-(4-methyl-1-piperazin-1-iumyl)-1-oxoethyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5,6-dimethoxy-3-[[2-(4-methylpiperazin-1-ium-1-yl)acetyl]amino]-1H-indole-2-carboxylate Traditional Name: 5,6-dimethoxy-3-[[2-(4-methylpiperazin-1-ium-1-yl)acetyl]amino]-1H-indole-2-carboxylic acid ethyl ester Formula: C20H29N4O5+ MolecularWeight: 405.46806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4O5/c1-5-29-20(26)19-18(22-17(25)12-24-8-6-23(2)7-9-24)13-10-15(27-3)16(28-4)11-14(13)21-19/h10-11,21H,5-9,12H2,1-4H3,(H,22,25)/p+1