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

Systemtic Name: 5-[4-[(1S)-1-(2,4-dimethylphenyl)ethyl]piperazin-4-ium-1-yl]-5-oxidanylidene-pentanoate Openeye Name: 5-[4-[(1S)-1-(2,4-dimethylphenyl)ethyl]piperazin-4-ium-1-yl]-5-oxo-pentanoate CAS Name: 5-[4-[(1S)-1-(2,4-dimethylphenyl)ethyl]-1-piperazin-4-iumyl]-5-oxopentanoate IUPAC Name: 5-[4-[(1S)-1-(2,4-dimethylphenyl)ethyl]piperazin-4-ium-1-yl]-5-oxopentanoate Traditional Name: 5-[4-[(1S)-1-(2,4-dimethylphenyl)ethyl]piperazin-4-ium-1-yl]-5-keto-valerate Formula: C19H28N2O3 MolecularWeight: 332.43722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)[NH+]2CCN(CC2)C(=O)CCCC(=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)[C@H](C)[NH+]2CCN(CC2)C(=O)CCCC(=O)[O-])C

InChI

InChI=1S/C19H28N2O3/c1-14-7-8-17(15(2)13-14)16(3)20-9-11-21(12-10-20)18(22)5-4-6-19(23)24/h7-8,13,16H,4-6,9-12H2,1-3H3,(H,23,24)/t16-/m0/s1