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

Systemtic Name: methyl 3-[2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]ethanoylamino]-5,6-dimethoxy-1H-indole-2-carboxylate Openeye Name: methyl 3-[[2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]acetyl]amino]-5,6-dimethoxy-1H-indole-2-carboxylate CAS Name: 3-[[2-[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-5,6-dimethoxy-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]acetyl]amino]-5,6-dimethoxy-1H-indole-2-carboxylate Traditional Name: 3-[[2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]acetyl]amino]-5,6-dimethoxy-1H-indole-2-carboxylic acid methyl ester Formula: C20H29N4O6+ MolecularWeight: 421.46746

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=C(N2)C(=O)OC)NC(=O)C[NH+]3CCN(CC3)CCO)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(N2)C(=O)OC)NC(=O)C[NH+]3CCN(CC3)CCO)OC

InChI

InChI=1S/C20H28N4O6/c1-28-15-10-13-14(11-16(15)29-2)21-19(20(27)30-3)18(13)22-17(26)12-24-6-4-23(5-7-24)8-9-25/h10-11,21,25H,4-9,12H2,1-3H3,(H,22,26)/p+1