ethyl 1-[2-oxidanylidene-2-[(2R)-3-oxidanylidene-2-(2-oxidanylidene-2-phenylazanyl-ethyl)piperazin-1-yl]ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[2-oxidanylidene-2-[(2R)-3-oxidanylidene-2-(2-oxidanylidene-2-phenylazanyl-ethyl)piperazin-1-yl]ethyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[2-[(2R)-2-(2-anilino-2-oxo-ethyl)-3-oxo-piperazin-1-yl]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[(2R)-2-(2-anilino-2-oxoethyl)-3-oxo-1-piperazinyl]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(2R)-2-(2-anilino-2-oxoethyl)-3-oxopiperazin-1-yl]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-[(2R)-2-(2-anilino-2-keto-ethyl)-3-keto-piperazino]-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C22H31N4O5+ MolecularWeight: 431.50534

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC(=O)N2CCNC(=O)C2CC(=O)NC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC(=O)N2CCNC(=O)[C@H]2CC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H30N4O5/c1-2-31-22(30)16-8-11-25(12-9-16)15-20(28)26-13-10-23-21(29)18(26)14-19(27)24-17-6-4-3-5-7-17/h3-7,16,18H,2,8-15H2,1H3,(H,23,29)(H,24,27)/p+1/t18-/m1/s1