(2R)-4-[(4-methoxyphenyl)amino]-4-oxidanylidene-2-(2-piperazine-1,4-diium-1-ylethylazaniumyl)butanoate

Systemtic Name: (2R)-4-[(4-methoxyphenyl)amino]-4-oxidanylidene-2-(2-piperazine-1,4-diium-1-ylethylazaniumyl)butanoate Openeye Name: (2R)-4-(4-methoxyanilino)-4-oxo-2-(2-piperazine-1,4-diium-1-ylethylammonio)butanoate CAS Name: (2R)-4-(4-methoxyanilino)-4-oxo-2-[2-(1-piperazine-1,4-diiumyl)ethylammonio]butanoate IUPAC Name: (2R)-4-(4-methoxyanilino)-4-oxo-2-(2-piperazine-1,4-diium-1-ylethylazaniumyl)butanoate Traditional Name: (2R)-4-keto-4-(p-anisidino)-2-(2-piperazine-1,4-diium-1-ylethylammonio)butyrate Formula: C17H28N4O4+2 MolecularWeight: 352.42862

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)CC(C(=O)[O-])[NH2+]CC[NH+]2CC[NH2+]CC2

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C[C@H](C(=O)[O-])[NH2+]CC[NH+]2CC[NH2+]CC2

InChI

InChI=1S/C17H26N4O4/c1-25-14-4-2-13(3-5-14)20-16(22)12-15(17(23)24)19-8-11-21-9-6-18-7-10-21/h2-5,15,18-19H,6-12H2,1H3,(H,20,22)(H,23,24)/p+2/t15-/m1/s1