2-[2-[4-[2-(tert-butylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethoxy]-4-methyl-benzoate

Systemtic Name: 2-[2-[4-[2-(tert-butylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethoxy]-4-methyl-benzoate Openeye Name: 2-[2-[4-[2-(tert-butylamino)-2-oxo-ethyl]piperazin-4-ium-1-yl]-2-oxo-ethoxy]-4-methyl-benzoate CAS Name: 2-[2-[4-[2-(tert-butylamino)-2-oxoethyl]-1-piperazin-4-iumyl]-2-oxoethoxy]-4-methylbenzoate IUPAC Name: 2-[2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-4-ium-1-yl]-2-oxoethoxy]-4-methylbenzoate Traditional Name: 2-[2-[4-[2-(tert-butylamino)-2-keto-ethyl]piperazin-4-ium-1-yl]-2-keto-ethoxy]-4-methyl-benzoate Formula: C20H29N3O5 MolecularWeight: 391.46136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)[O-])OCC(=O)N2CC[NH+](CC2)CC(=O)NC(C)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)[O-])OCC(=O)N2CC[NH+](CC2)CC(=O)NC(C)(C)C

InChI

InChI=1S/C20H29N3O5/c1-14-5-6-15(19(26)27)16(11-14)28-13-18(25)23-9-7-22(8-10-23)12-17(24)21-20(2,3)4/h5-6,11H,7-10,12-13H2,1-4H3,(H,21,24)(H,26,27)