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

Systemtic Name: 4-oxidanylidene-4-[4-[(1R)-1-phenylethyl]piperazin-4-ium-1-yl]butanoate Openeye Name: 4-oxo-4-[4-[(1R)-1-phenylethyl]piperazin-4-ium-1-yl]butanoate CAS Name: 4-oxo-4-[4-[(1R)-1-phenylethyl]-1-piperazin-4-iumyl]butanoate IUPAC Name: 4-oxo-4-[4-[(1R)-1-phenylethyl]piperazin-4-ium-1-yl]butanoate Traditional Name: 4-keto-4-[4-[(1R)-1-phenylethyl]piperazin-4-ium-1-yl]butyrate Formula: C16H22N2O3 MolecularWeight: 290.35748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O3/c1-13(14-5-3-2-4-6-14)17-9-11-18(12-10-17)15(19)7-8-16(20)21/h2-6,13H,7-12H2,1H3,(H,20,21)/t13-/m1/s1