5-[4-(3-methylphenyl)piperazin-1-ium-1-yl]pentanoate

Systemtic Name: 5-[4-(3-methylphenyl)piperazin-1-ium-1-yl]pentanoate Openeye Name: 5-[4-(m-tolyl)piperazin-1-ium-1-yl]pentanoate CAS Name: 5-[4-(3-methylphenyl)-1-piperazin-1-iumyl]pentanoate IUPAC Name: 5-[4-(3-methylphenyl)piperazin-1-ium-1-yl]pentanoate Traditional Name: 5-[4-(m-tolyl)piperazin-1-ium-1-yl]valerate Formula: C16H24N2O2 MolecularWeight: 276.37396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCCCC(=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCCCC(=O)[O-]

InChI

InChI=1S/C16H24N2O2/c1-14-5-4-6-15(13-14)18-11-9-17(10-12-18)8-3-2-7-16(19)20/h4-6,13H,2-3,7-12H2,1H3,(H,19,20)