methyl 3-[2-[(2R)-2-(2-ethoxy-2-oxidanylidene-ethyl)-3-oxidanylidene-piperazin-1-ium-1-yl]ethanoylamino]-5-methyl-1H-indole-2-carboxylate

Systemtic Name: methyl 3-[2-[(2R)-2-(2-ethoxy-2-oxidanylidene-ethyl)-3-oxidanylidene-piperazin-1-ium-1-yl]ethanoylamino]-5-methyl-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]-5-methyl-1H-indole-2-carboxylate CAS Name: 3-[[2-[(2R)-2-(2-ethoxy-2-oxoethyl)-3-oxo-1-piperazin-1-iumyl]-1-oxoethyl]amino]-5-methyl-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]-5-methyl-1H-indole-2-carboxylate Traditional Name: 3-[[2-[(2R)-2-(2-ethoxy-2-keto-ethyl)-3-keto-piperazin-1-ium-1-yl]acetyl]amino]-5-methyl-1H-indole-2-carboxylic acid methyl ester Formula: C21H27N4O6+ MolecularWeight: 431.46228

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1C(=O)NCC[NH+]1CC(=O)NC2=C(NC3=C2C=C(C=C3)C)C(=O)OC

Isomeric SMILES

CCOC(=O)C[C@@H]1C(=O)NCC[NH+]1CC(=O)NC2=C(NC3=C2C=C(C=C3)C)C(=O)OC

InChI

InChI=1S/C21H26N4O6/c1-4-31-17(27)10-15-20(28)22-7-8-25(15)11-16(26)24-18-13-9-12(2)5-6-14(13)23-19(18)21(29)30-3/h5-6,9,15,23H,4,7-8,10-11H2,1-3H3,(H,22,28)(H,24,26)/p+1/t15-/m1/s1