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

Systemtic Name: 3-[4-[(1S)-1-(2,4-dimethylphenyl)ethyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propanoate Openeye Name: 3-[4-[(1S)-1-(2,4-dimethylphenyl)ethyl]piperazin-4-ium-1-yl]-3-oxo-propanoate CAS Name: 3-[4-[(1S)-1-(2,4-dimethylphenyl)ethyl]-1-piperazin-4-iumyl]-3-oxopropanoate IUPAC Name: 3-[4-[(1S)-1-(2,4-dimethylphenyl)ethyl]piperazin-4-ium-1-yl]-3-oxopropanoate Traditional Name: 3-[4-[(1S)-1-(2,4-dimethylphenyl)ethyl]piperazin-4-ium-1-yl]-3-keto-propionate Formula: C17H24N2O3 MolecularWeight: 304.38406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)[NH+]2CCN(CC2)C(=O)CC(=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)[C@H](C)[NH+]2CCN(CC2)C(=O)CC(=O)[O-])C

InChI

InChI=1S/C17H24N2O3/c1-12-4-5-15(13(2)10-12)14(3)18-6-8-19(9-7-18)16(20)11-17(21)22/h4-5,10,14H,6-9,11H2,1-3H3,(H,21,22)/t14-/m0/s1