4-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]butanoate

Systemtic Name: 4-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]butanoate Openeye Name: 4-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]butanoate CAS Name: 4-[4-(2-chlorophenyl)-1-piperazin-1-iumyl]butanoate IUPAC Name: 4-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]butanoate Traditional Name: 4-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]butyrate Formula: C14H19ClN2O2 MolecularWeight: 282.76586

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCC(=O)[O-])C2=CC=CC=C2Cl

Isomeric SMILES

C1CN(CC[NH+]1CCCC(=O)[O-])C2=CC=CC=C2Cl

InChI

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