5-[4-[(1R)-1-(4-cyclohexylphenyl)ethyl]piperazin-4-ium-1-yl]-5-oxidanylidene-pentanoate

Systemtic Name: 5-[4-[(1R)-1-(4-cyclohexylphenyl)ethyl]piperazin-4-ium-1-yl]-5-oxidanylidene-pentanoate Openeye Name: 5-[4-[(1R)-1-(4-cyclohexylphenyl)ethyl]piperazin-4-ium-1-yl]-5-oxo-pentanoate CAS Name: 5-[4-[(1R)-1-(4-cyclohexylphenyl)ethyl]-1-piperazin-4-iumyl]-5-oxopentanoate IUPAC Name: 5-[4-[(1R)-1-(4-cyclohexylphenyl)ethyl]piperazin-4-ium-1-yl]-5-oxopentanoate Traditional Name: 5-[4-[(1R)-1-(4-cyclohexylphenyl)ethyl]piperazin-4-ium-1-yl]-5-keto-valerate Formula: C23H34N2O3 MolecularWeight: 386.52766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H34N2O3/c1-18(19-10-12-21(13-11-19)20-6-3-2-4-7-20)24-14-16-25(17-15-24)22(26)8-5-9-23(27)28/h10-13,18,20H,2-9,14-17H2,1H3,(H,27,28)/t18-/m1/s1