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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)CC(=O)NC2=C(NC3=CC(=C(C=C32)OC)OC)C(=O)OC

Isomeric SMILES

CCN1CC[NH+](CC1)CC(=O)NC2=C(NC3=CC(=C(C=C32)OC)OC)C(=O)OC

InChI

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