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

Systemtic Name: 5-oxidanylidene-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]pentanoate Openeye Name: 5-(4-benzylpiperazin-4-ium-1-yl)-5-oxo-pentanoate CAS Name: 5-oxo-5-[4-(phenylmethyl)-1-piperazin-4-iumyl]pentanoate IUPAC Name: 5-(4-benzylpiperazin-4-ium-1-yl)-5-oxopentanoate Traditional Name: 5-(4-benzylpiperazin-4-ium-1-yl)-5-keto-valerate Formula: C16H22N2O3 MolecularWeight: 290.35748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O3/c19-15(7-4-8-16(20)21)18-11-9-17(10-12-18)13-14-5-2-1-3-6-14/h1-3,5-6H,4,7-13H2,(H,20,21)