(2R)-4-[(2,5-dimethoxyphenyl)amino]-2-(4-methylpiperazine-1,4-diium-1-yl)-4-oxidanylidene-butanoate

Systemtic Name: (2R)-4-[(2,5-dimethoxyphenyl)amino]-2-(4-methylpiperazine-1,4-diium-1-yl)-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(2,5-dimethoxyanilino)-2-(4-methylpiperazine-1,4-diium-1-yl)-4-oxo-butanoate CAS Name: (2R)-4-(2,5-dimethoxyanilino)-2-(4-methyl-1-piperazine-1,4-diiumyl)-4-oxobutanoate IUPAC Name: (2R)-4-(2,5-dimethoxyanilino)-2-(4-methylpiperazine-1,4-diium-1-yl)-4-oxobutanoate Traditional Name: (2R)-4-(2,5-dimethoxyanilino)-4-keto-2-(4-methylpiperazine-1,4-diium-1-yl)butyrate Formula: C17H26N3O5+ MolecularWeight: 352.40544

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)C(CC(=O)NC2=C(C=CC(=C2)OC)OC)C(=O)[O-]

Isomeric SMILES

C[NH+]1CC[NH+](CC1)[C@H](CC(=O)NC2=C(C=CC(=C2)OC)OC)C(=O)[O-]

InChI

InChI=1S/C17H25N3O5/c1-19-6-8-20(9-7-19)14(17(22)23)11-16(21)18-13-10-12(24-2)4-5-15(13)25-3/h4-5,10,14H,6-9,11H2,1-3H3,(H,18,21)(H,22,23)/p+1/t14-/m1/s1