4-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]butanoate

Systemtic Name: 4-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]butanoate Openeye Name: 4-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]butanoate CAS Name: 4-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]butanoate IUPAC Name: 4-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]butanoate Traditional Name: 4-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]butyrate Formula: C14H19ClN2O2 MolecularWeight: 282.76586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19ClN2O2/c15-12-3-1-4-13(11-12)17-9-7-16(8-10-17)6-2-5-14(18)19/h1,3-4,11H,2,5-10H2,(H,18,19)