(2R)-4-[(5-chloranyl-2-methoxy-phenyl)amino]-4-oxidanylidene-2-piperazine-1,4-diium-1-yl-butanoate

Systemtic Name: (2R)-4-[(5-chloranyl-2-methoxy-phenyl)amino]-4-oxidanylidene-2-piperazine-1,4-diium-1-yl-butanoate Openeye Name: (2R)-4-(5-chloro-2-methoxy-anilino)-4-oxo-2-piperazine-1,4-diium-1-yl-butanoate CAS Name: (2R)-4-(5-chloro-2-methoxyanilino)-4-oxo-2-(1-piperazine-1,4-diiumyl)butanoate IUPAC Name: (2R)-4-(5-chloro-2-methoxyanilino)-4-oxo-2-piperazine-1,4-diium-1-ylbutanoate Traditional Name: (2R)-4-(5-chloro-2-methoxy-anilino)-4-keto-2-piperazine-1,4-diium-1-yl-butyrate Formula: C15H21ClN3O4+ MolecularWeight: 342.79794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20ClN3O4/c1-23-13-3-2-10(16)8-11(13)18-14(20)9-12(15(21)22)19-6-4-17-5-7-19/h2-3,8,12,17H,4-7,9H2,1H3,(H,18,20)(H,21,22)/p+1/t12-/m1/s1