5-oxidanylidene-5-[4-[(1S)-1-(4-propan-2-ylphenyl)ethyl]piperazin-4-ium-1-yl]pentanoate

Systemtic Name: 5-oxidanylidene-5-[4-[(1S)-1-(4-propan-2-ylphenyl)ethyl]piperazin-4-ium-1-yl]pentanoate Openeye Name: 5-[4-[(1S)-1-(4-isopropylphenyl)ethyl]piperazin-4-ium-1-yl]-5-oxo-pentanoate CAS Name: 5-oxo-5-[4-[(1S)-1-(4-propan-2-ylphenyl)ethyl]-1-piperazin-4-iumyl]pentanoate IUPAC Name: 5-oxo-5-[4-[(1S)-1-(4-propan-2-ylphenyl)ethyl]piperazin-4-ium-1-yl]pentanoate Traditional Name: 5-keto-5-[4-[(1S)-1-p-cumenylethyl]piperazin-4-ium-1-yl]valerate Formula: C20H30N2O3 MolecularWeight: 346.4638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O3/c1-15(2)17-7-9-18(10-8-17)16(3)21-11-13-22(14-12-21)19(23)5-4-6-20(24)25/h7-10,15-16H,4-6,11-14H2,1-3H3,(H,24,25)/t16-/m0/s1