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

Systemtic Name: (2R)-4-[(2,6-diethylphenyl)amino]-2-(4-methylpiperazine-1,4-diium-1-yl)-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(2,6-diethylanilino)-2-(4-methylpiperazine-1,4-diium-1-yl)-4-oxo-butanoate CAS Name: (2R)-4-(2,6-diethylanilino)-2-(4-methyl-1-piperazine-1,4-diiumyl)-4-oxobutanoate IUPAC Name: (2R)-4-(2,6-diethylanilino)-2-(4-methylpiperazine-1,4-diium-1-yl)-4-oxobutanoate Traditional Name: (2R)-4-(2,6-diethylanilino)-4-keto-2-(4-methylpiperazine-1,4-diium-1-yl)butyrate Formula: C19H30N3O3+ MolecularWeight: 348.4598

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)CC(C(=O)[O-])[NH+]2CC[NH+](CC2)C

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)C[C@H](C(=O)[O-])[NH+]2CC[NH+](CC2)C

InChI

InChI=1S/C19H29N3O3/c1-4-14-7-6-8-15(5-2)18(14)20-17(23)13-16(19(24)25)22-11-9-21(3)10-12-22/h6-8,16H,4-5,9-13H2,1-3H3,(H,20,23)(H,24,25)/p+1/t16-/m1/s1