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

Systemtic Name: (2R)-4-[(4-dimethylaminophenyl)amino]-4-oxidanylidene-2-piperazine-1,4-diium-1-yl-butanoate Openeye Name: (2R)-4-[4-(dimethylamino)anilino]-4-oxo-2-piperazine-1,4-diium-1-yl-butanoate CAS Name: (2R)-4-[4-(dimethylamino)anilino]-4-oxo-2-(1-piperazine-1,4-diiumyl)butanoate IUPAC Name: (2R)-4-[4-(dimethylamino)anilino]-4-oxo-2-piperazine-1,4-diium-1-ylbutanoate Traditional Name: (2R)-4-[4-(dimethylamino)anilino]-4-keto-2-piperazine-1,4-diium-1-yl-butyrate Formula: C16H25N4O3+ MolecularWeight: 321.3947

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N4O3/c1-19(2)13-5-3-12(4-6-13)18-15(21)11-14(16(22)23)20-9-7-17-8-10-20/h3-6,14,17H,7-11H2,1-2H3,(H,18,21)(H,22,23)/p+1/t14-/m1/s1