ethyl 2-[[4-(2-methylpropyl)piperazin-4-ium-1-yl]carbonylamino]ethanoate

Systemtic Name: ethyl 2-[[4-(2-methylpropyl)piperazin-4-ium-1-yl]carbonylamino]ethanoate Openeye Name: ethyl 2-[(4-isobutylpiperazin-4-ium-1-carbonyl)amino]acetate CAS Name: 2-[[[4-(2-methylpropyl)-1-piperazin-4-iumyl]-oxomethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[4-(2-methylpropyl)piperazin-4-ium-1-carbonyl]amino]acetate Traditional Name: 2-[(4-isobutylpiperazin-4-ium-1-carbonyl)amino]acetic acid ethyl ester Formula: C13H26N3O3+ MolecularWeight: 272.36384

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)N1CC[NH+](CC1)CC(C)C

Isomeric SMILES

CCOC(=O)CNC(=O)N1CC[NH+](CC1)CC(C)C

InChI

InChI=1S/C13H25N3O3/c1-4-19-12(17)9-14-13(18)16-7-5-15(6-8-16)10-11(2)3/h11H,4-10H2,1-3H3,(H,14,18)/p+1