4-[4-(phenylmethyl)piperazin-1-ium-1-yl]butanoate

Systemtic Name: 4-[4-(phenylmethyl)piperazin-1-ium-1-yl]butanoate Openeye Name: 4-(4-benzylpiperazin-1-ium-1-yl)butanoate CAS Name: 4-[4-(phenylmethyl)-1-piperazin-1-iumyl]butanoate IUPAC Name: 4-(4-benzylpiperazin-1-ium-1-yl)butanoate Traditional Name: 4-(4-benzylpiperazin-1-ium-1-yl)butyrate Formula: C15H22N2O2 MolecularWeight: 262.34738

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCC(=O)[O-])CC2=CC=CC=C2

Isomeric SMILES

C1CN(CC[NH+]1CCCC(=O)[O-])CC2=CC=CC=C2

InChI

InChI=1S/C15H22N2O2/c18-15(19)7-4-8-16-9-11-17(12-10-16)13-14-5-2-1-3-6-14/h1-3,5-6H,4,7-13H2,(H,18,19)