(2R)-4-[(2,6-dimethylphenyl)amino]-4-oxidanylidene-2-piperazine-1,4-diium-1-yl-butanoate

Systemtic Name: (2R)-4-[(2,6-dimethylphenyl)amino]-4-oxidanylidene-2-piperazine-1,4-diium-1-yl-butanoate Openeye Name: (2R)-4-(2,6-dimethylanilino)-4-oxo-2-piperazine-1,4-diium-1-yl-butanoate CAS Name: (2R)-4-(2,6-dimethylanilino)-4-oxo-2-(1-piperazine-1,4-diiumyl)butanoate IUPAC Name: (2R)-4-(2,6-dimethylanilino)-4-oxo-2-piperazine-1,4-diium-1-ylbutanoate Traditional Name: (2R)-4-(2,6-dimethylanilino)-4-keto-2-piperazine-1,4-diium-1-yl-butyrate Formula: C16H24N3O3+ MolecularWeight: 306.38006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CC(C(=O)[O-])[NH+]2CC[NH2+]CC2

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[C@H](C(=O)[O-])[NH+]2CC[NH2+]CC2

InChI

InChI=1S/C16H23N3O3/c1-11-4-3-5-12(2)15(11)18-14(20)10-13(16(21)22)19-8-6-17-7-9-19/h3-5,13,17H,6-10H2,1-2H3,(H,18,20)(H,21,22)/p+1/t13-/m1/s1