5-(4-phenylpiperazin-1-ium-1-yl)pentanoate

Systemtic Name: 5-(4-phenylpiperazin-1-ium-1-yl)pentanoate Openeye Name: 5-(4-phenylpiperazin-1-ium-1-yl)pentanoate CAS Name: 5-(4-phenyl-1-piperazin-1-iumyl)pentanoate IUPAC Name: 5-(4-phenylpiperazin-1-ium-1-yl)pentanoate Traditional Name: 5-(4-phenylpiperazin-1-ium-1-yl)valerate Formula: C15H22N2O2 MolecularWeight: 262.34738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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