6-[4-(4-methylphenyl)piperazin-1-ium-1-yl]hexanoate

Systemtic Name: 6-[4-(4-methylphenyl)piperazin-1-ium-1-yl]hexanoate Openeye Name: 6-[4-(p-tolyl)piperazin-1-ium-1-yl]hexanoate CAS Name: 6-[4-(4-methylphenyl)-1-piperazin-1-iumyl]hexanoate IUPAC Name: 6-[4-(4-methylphenyl)piperazin-1-ium-1-yl]hexanoate Traditional Name: 6-[4-(p-tolyl)piperazin-1-ium-1-yl]hexanoate Formula: C17H26N2O2 MolecularWeight: 290.40054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O2/c1-15-6-8-16(9-7-15)19-13-11-18(12-14-19)10-4-2-3-5-17(20)21/h6-9H,2-5,10-14H2,1H3,(H,20,21)