3-oxidanylidene-3-[4-[(1S)-1-(4-propan-2-ylphenyl)ethyl]piperazin-4-ium-1-yl]propanoate

Systemtic Name: 3-oxidanylidene-3-[4-[(1S)-1-(4-propan-2-ylphenyl)ethyl]piperazin-4-ium-1-yl]propanoate Openeye Name: 3-[4-[(1S)-1-(4-isopropylphenyl)ethyl]piperazin-4-ium-1-yl]-3-oxo-propanoate CAS Name: 3-oxo-3-[4-[(1S)-1-(4-propan-2-ylphenyl)ethyl]-1-piperazin-4-iumyl]propanoate IUPAC Name: 3-oxo-3-[4-[(1S)-1-(4-propan-2-ylphenyl)ethyl]piperazin-4-ium-1-yl]propanoate Traditional Name: 3-keto-3-[4-[(1S)-1-p-cumenylethyl]piperazin-4-ium-1-yl]propionate Formula: C18H26N2O3 MolecularWeight: 318.41064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O3/c1-13(2)15-4-6-16(7-5-15)14(3)19-8-10-20(11-9-19)17(21)12-18(22)23/h4-7,13-14H,8-12H2,1-3H3,(H,22,23)/t14-/m0/s1