(2R)-4-(4-cyclohexylphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)-4-oxidanylidene-butanoate

Systemtic Name: (2R)-4-(4-cyclohexylphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(4-cyclohexylphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)-4-oxo-butanoate CAS Name: (2R)-4-(4-cyclohexylphenyl)-2-(4-methyl-1-piperazine-1,4-diiumyl)-4-oxobutanoate IUPAC Name: (2R)-4-(4-cyclohexylphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)-4-oxobutanoate Traditional Name: (2R)-4-(4-cyclohexylphenyl)-4-keto-2-(4-methylpiperazine-1,4-diium-1-yl)butyrate Formula: C21H31N2O3+ MolecularWeight: 359.48244

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)C(CC(=O)C2=CC=C(C=C2)C3CCCCC3)C(=O)[O-]

Isomeric SMILES

C[NH+]1CC[NH+](CC1)[C@H](CC(=O)C2=CC=C(C=C2)C3CCCCC3)C(=O)[O-]

InChI

InChI=1S/C21H30N2O3/c1-22-11-13-23(14-12-22)19(21(25)26)15-20(24)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h7-10,16,19H,2-6,11-15H2,1H3,(H,25,26)/p+1/t19-/m1/s1