5-[4-[(R)-(4-chlorophenyl)-phenyl-methyl]piperazin-4-ium-1-yl]-5-oxidanylidene-pentanoate

Systemtic Name: 5-[4-[(R)-(4-chlorophenyl)-phenyl-methyl]piperazin-4-ium-1-yl]-5-oxidanylidene-pentanoate Openeye Name: 5-[4-[(R)-(4-chlorophenyl)-phenyl-methyl]piperazin-4-ium-1-yl]-5-oxo-pentanoate CAS Name: 5-[4-[(R)-(4-chlorophenyl)-phenylmethyl]-1-piperazin-4-iumyl]-5-oxopentanoate IUPAC Name: 5-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-4-ium-1-yl]-5-oxopentanoate Traditional Name: 5-[4-[(R)-(4-chlorophenyl)-phenyl-methyl]piperazin-4-ium-1-yl]-5-keto-valerate Formula: C22H25ClN2O3 MolecularWeight: 400.8985

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C(=O)CCCC(=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1[C@H](C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C(=O)CCCC(=O)[O-]

InChI

InChI=1S/C22H25ClN2O3/c23-19-11-9-18(10-12-19)22(17-5-2-1-3-6-17)25-15-13-24(14-16-25)20(26)7-4-8-21(27)28/h1-3,5-6,9-12,22H,4,7-8,13-16H2,(H,27,28)/t22-/m1/s1