5-[4-(phenylmethyl)piperazin-1-ium-1-yl]pentanoate

Systemtic Name: 5-[4-(phenylmethyl)piperazin-1-ium-1-yl]pentanoate Openeye Name: 5-(4-benzylpiperazin-1-ium-1-yl)pentanoate CAS Name: 5-[4-(phenylmethyl)-1-piperazin-1-iumyl]pentanoate IUPAC Name: 5-(4-benzylpiperazin-1-ium-1-yl)pentanoate Traditional Name: 5-(4-benzylpiperazin-1-ium-1-yl)valerate Formula: C16H24N2O2 MolecularWeight: 276.37396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O2/c19-16(20)8-4-5-9-17-10-12-18(13-11-17)14-15-6-2-1-3-7-15/h1-3,6-7H,4-5,8-14H2,(H,19,20)