methyl 3-[2-[(2R)-2-(2-ethoxy-2-oxidanylidene-ethyl)-3-oxidanylidene-piperazin-1-ium-1-yl]ethanoylamino]-1H-indole-2-carboxylate

Systemtic Name: methyl 3-[2-[(2R)-2-(2-ethoxy-2-oxidanylidene-ethyl)-3-oxidanylidene-piperazin-1-ium-1-yl]ethanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 3-[[2-[(2R)-2-(2-ethoxy-2-oxo-ethyl)-3-oxo-piperazin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylate CAS Name: 3-[[2-[(2R)-2-(2-ethoxy-2-oxoethyl)-3-oxo-1-piperazin-1-iumyl]-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[(2R)-2-(2-ethoxy-2-oxoethyl)-3-oxopiperazin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylate Traditional Name: 3-[[2-[(2R)-2-(2-ethoxy-2-keto-ethyl)-3-keto-piperazin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C20H25N4O6+ MolecularWeight: 417.4357

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1C(=O)NCC[NH+]1CC(=O)NC2=C(NC3=CC=CC=C32)C(=O)OC

Isomeric SMILES

CCOC(=O)C[C@@H]1C(=O)NCC[NH+]1CC(=O)NC2=C(NC3=CC=CC=C32)C(=O)OC

InChI

InChI=1S/C20H24N4O6/c1-3-30-16(26)10-14-19(27)21-8-9-24(14)11-15(25)23-17-12-6-4-5-7-13(12)22-18(17)20(28)29-2/h4-7,14,22H,3,8-11H2,1-2H3,(H,21,27)(H,23,25)/p+1/t14-/m1/s1