(2R)-4-(4-tert-butylphenyl)-2-(4-methylpiperazin-1-ium-1-yl)-4-oxidanylidene-butanoate

Systemtic Name: (2R)-4-(4-tert-butylphenyl)-2-(4-methylpiperazin-1-ium-1-yl)-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(4-tert-butylphenyl)-2-(4-methylpiperazin-1-ium-1-yl)-4-oxo-butanoate CAS Name: (2R)-4-(4-tert-butylphenyl)-2-(4-methyl-1-piperazin-1-iumyl)-4-oxobutanoate IUPAC Name: (2R)-4-(4-tert-butylphenyl)-2-(4-methylpiperazin-1-ium-1-yl)-4-oxobutanoate Traditional Name: (2R)-4-(4-tert-butylphenyl)-4-keto-2-(4-methylpiperazin-1-ium-1-yl)butyrate Formula: C19H28N2O3 MolecularWeight: 332.43722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O3/c1-19(2,3)15-7-5-14(6-8-15)17(22)13-16(18(23)24)21-11-9-20(4)10-12-21/h5-8,16H,9-13H2,1-4H3,(H,23,24)/t16-/m1/s1