4-[4-[(1R)-1-(4-cyclohexylphenyl)ethyl]piperazin-4-ium-1-yl]-4-oxidanylidene-butanoate

Systemtic Name: 4-[4-[(1R)-1-(4-cyclohexylphenyl)ethyl]piperazin-4-ium-1-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[4-[(1R)-1-(4-cyclohexylphenyl)ethyl]piperazin-4-ium-1-yl]-4-oxo-butanoate CAS Name: 4-[4-[(1R)-1-(4-cyclohexylphenyl)ethyl]-1-piperazin-4-iumyl]-4-oxobutanoate IUPAC Name: 4-[4-[(1R)-1-(4-cyclohexylphenyl)ethyl]piperazin-4-ium-1-yl]-4-oxobutanoate Traditional Name: 4-[4-[(1R)-1-(4-cyclohexylphenyl)ethyl]piperazin-4-ium-1-yl]-4-keto-butyrate Formula: C22H32N2O3 MolecularWeight: 372.50108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C2CCCCC2)[NH+]3CCN(CC3)C(=O)CCC(=O)[O-]

Isomeric SMILES

C[C@H](C1=CC=C(C=C1)C2CCCCC2)[NH+]3CCN(CC3)C(=O)CCC(=O)[O-]

InChI

InChI=1S/C22H32N2O3/c1-17(18-7-9-20(10-8-18)19-5-3-2-4-6-19)23-13-15-24(16-14-23)21(25)11-12-22(26)27/h7-10,17,19H,2-6,11-16H2,1H3,(H,26,27)/t17-/m1/s1