(2R)-4-[(3-chloranyl-2-methyl-phenyl)amino]-4-oxidanylidene-2-piperazine-1,4-diium-1-yl-butanoate

Systemtic Name: (2R)-4-[(3-chloranyl-2-methyl-phenyl)amino]-4-oxidanylidene-2-piperazine-1,4-diium-1-yl-butanoate Openeye Name: (2R)-4-(3-chloro-2-methyl-anilino)-4-oxo-2-piperazine-1,4-diium-1-yl-butanoate CAS Name: (2R)-4-(3-chloro-2-methylanilino)-4-oxo-2-(1-piperazine-1,4-diiumyl)butanoate IUPAC Name: (2R)-4-(3-chloro-2-methylanilino)-4-oxo-2-piperazine-1,4-diium-1-ylbutanoate Traditional Name: (2R)-4-(3-chloro-2-methyl-anilino)-4-keto-2-piperazine-1,4-diium-1-yl-butyrate Formula: C15H21ClN3O3+ MolecularWeight: 326.79854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CC(C(=O)[O-])[NH+]2CC[NH2+]CC2

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)C[C@H](C(=O)[O-])[NH+]2CC[NH2+]CC2

InChI

InChI=1S/C15H20ClN3O3/c1-10-11(16)3-2-4-12(10)18-14(20)9-13(15(21)22)19-7-5-17-6-8-19/h2-4,13,17H,5-9H2,1H3,(H,18,20)(H,21,22)/p+1/t13-/m1/s1