3-[4-[(1R)-1-(4-cyclohexylphenyl)ethyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propanoate

Systemtic Name: 3-[4-[(1R)-1-(4-cyclohexylphenyl)ethyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propanoate Openeye Name: 3-[4-[(1R)-1-(4-cyclohexylphenyl)ethyl]piperazin-4-ium-1-yl]-3-oxo-propanoate CAS Name: 3-[4-[(1R)-1-(4-cyclohexylphenyl)ethyl]-1-piperazin-4-iumyl]-3-oxopropanoate IUPAC Name: 3-[4-[(1R)-1-(4-cyclohexylphenyl)ethyl]piperazin-4-ium-1-yl]-3-oxopropanoate Traditional Name: 3-[4-[(1R)-1-(4-cyclohexylphenyl)ethyl]piperazin-4-ium-1-yl]-3-keto-propionate Formula: C21H30N2O3 MolecularWeight: 358.4745

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O3/c1-16(22-11-13-23(14-12-22)20(24)15-21(25)26)17-7-9-19(10-8-17)18-5-3-2-4-6-18/h7-10,16,18H,2-6,11-15H2,1H3,(H,25,26)/t16-/m1/s1