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

Systemtic Name: ethyl 4-[2-oxidanylidene-2-[(2R)-3-oxidanylidene-2-(2-oxidanylidene-2-phenylazanyl-ethyl)piperazin-1-yl]ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-[(2R)-2-(2-anilino-2-oxo-ethyl)-3-oxo-piperazin-1-yl]-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-[(2R)-2-(2-anilino-2-oxoethyl)-3-oxo-1-piperazinyl]-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(2R)-2-(2-anilino-2-oxoethyl)-3-oxopiperazin-1-yl]-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-[(2R)-2-(2-anilino-2-keto-ethyl)-3-keto-piperazino]-2-keto-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C21H30N5O5+ MolecularWeight: 432.4934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(=O)N2CCNC(=O)C2CC(=O)NC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)N2CCNC(=O)[C@H]2CC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H29N5O5/c1-2-31-21(30)25-12-10-24(11-13-25)15-19(28)26-9-8-22-20(29)17(26)14-18(27)23-16-6-4-3-5-7-16/h3-7,17H,2,8-15H2,1H3,(H,22,29)(H,23,27)/p+1/t17-/m1/s1