2-(1-octyl-4-pyridin-4-yl-piperazin-1-ium-1-yl)ethanoic acid

Systemtic Name: 2-(1-octyl-4-pyridin-4-yl-piperazin-1-ium-1-yl)ethanoic acid Openeye Name: 2-[1-octyl-4-(4-pyridyl)piperazin-1-ium-1-yl]acetic acid CAS Name: 2-(1-octyl-4-pyridin-4-yl-1-piperazin-1-iumyl)acetic acid IUPAC Name: 2-(1-octyl-4-pyridin-4-ylpiperazin-1-ium-1-yl)acetic acid Traditional Name: 2-[1-octyl-4-(4-pyridyl)piperazin-1-ium-1-yl]acetic acid Formula: C19H32N3O2+ MolecularWeight: 334.47628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+]1(CCN(CC1)C2=CC=NC=C2)CC(=O)O

Isomeric SMILES

CCCCCCCC[N+]1(CCN(CC1)C2=CC=NC=C2)CC(=O)O

InChI

InChI=1S/C19H31N3O2/c1-2-3-4-5-6-7-14-22(17-19(23)24)15-12-21(13-16-22)18-8-10-20-11-9-18/h8-11H,2-7,12-17H2,1H3/p+1