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

Systemtic Name: (2R)-4-[(4-ethoxyphenyl)amino]-2-(4-methylpiperazine-1,4-diium-1-yl)-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(4-ethoxyanilino)-2-(4-methylpiperazine-1,4-diium-1-yl)-4-oxo-butanoate CAS Name: (2R)-4-(4-ethoxyanilino)-2-(4-methyl-1-piperazine-1,4-diiumyl)-4-oxobutanoate IUPAC Name: (2R)-4-(4-ethoxyanilino)-2-(4-methylpiperazine-1,4-diium-1-yl)-4-oxobutanoate Traditional Name: (2R)-4-keto-2-(4-methylpiperazine-1,4-diium-1-yl)-4-(p-phenetidino)butyrate Formula: C17H26N3O4+ MolecularWeight: 336.40604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CC(C(=O)[O-])[NH+]2CC[NH+](CC2)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C[C@H](C(=O)[O-])[NH+]2CC[NH+](CC2)C

InChI

InChI=1S/C17H25N3O4/c1-3-24-14-6-4-13(5-7-14)18-16(21)12-15(17(22)23)20-10-8-19(2)9-11-20/h4-7,15H,3,8-12H2,1-2H3,(H,18,21)(H,22,23)/p+1/t15-/m1/s1