4-oxidanylidene-4-[4-[(1S)-1-(4-propan-2-ylphenyl)ethyl]piperazin-4-ium-1-yl]butanoate

Systemtic Name: 4-oxidanylidene-4-[4-[(1S)-1-(4-propan-2-ylphenyl)ethyl]piperazin-4-ium-1-yl]butanoate Openeye Name: 4-[4-[(1S)-1-(4-isopropylphenyl)ethyl]piperazin-4-ium-1-yl]-4-oxo-butanoate CAS Name: 4-oxo-4-[4-[(1S)-1-(4-propan-2-ylphenyl)ethyl]-1-piperazin-4-iumyl]butanoate IUPAC Name: 4-oxo-4-[4-[(1S)-1-(4-propan-2-ylphenyl)ethyl]piperazin-4-ium-1-yl]butanoate Traditional Name: 4-keto-4-[4-[(1S)-1-p-cumenylethyl]piperazin-4-ium-1-yl]butyrate Formula: C19H28N2O3 MolecularWeight: 332.43722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O3/c1-14(2)16-4-6-17(7-5-16)15(3)20-10-12-21(13-11-20)18(22)8-9-19(23)24/h4-7,14-15H,8-13H2,1-3H3,(H,23,24)/t15-/m0/s1