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

Systemtic Name: (2S)-4-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]-4-(4-propan-2-ylphenyl)butanoate Openeye Name: (2S)-2-(4-benzylpiperazin-1-ium-1-yl)-4-(4-isopropylphenyl)-4-oxo-butanoate CAS Name: (2S)-4-oxo-2-[4-(phenylmethyl)-1-piperazin-1-iumyl]-4-(4-propan-2-ylphenyl)butanoate IUPAC Name: (2S)-2-(4-benzylpiperazin-1-ium-1-yl)-4-oxo-4-(4-propan-2-ylphenyl)butanoate Traditional Name: (2S)-2-(4-benzylpiperazin-1-ium-1-yl)-4-keto-4-p-cumenyl-butyrate Formula: C24H30N2O3 MolecularWeight: 394.5066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)CC(C(=O)[O-])[NH+]2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)C[C@@H](C(=O)[O-])[NH+]2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C24H30N2O3/c1-18(2)20-8-10-21(11-9-20)23(27)16-22(24(28)29)26-14-12-25(13-15-26)17-19-6-4-3-5-7-19/h3-11,18,22H,12-17H2,1-2H3,(H,28,29)/t22-/m0/s1