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

Systemtic Name: 2-(1-octyl-4-pyridin-4-yl-piperazin-1-ium-1-yl)ethanoic acid chloride hydrochloride Openeye Name: 2-[1-octyl-4-(4-pyridyl)piperazin-1-ium-1-yl]acetic acid chloride hydrochloride CAS Name: 2-(1-octyl-4-pyridin-4-yl-1-piperazin-1-iumyl)acetic acid chloride hydrochloride IUPAC Name: 2-(1-octyl-4-pyridin-4-ylpiperazin-1-ium-1-yl)acetic acid chloride hydrochloride Traditional Name: 2-[1-octyl-4-(4-pyridyl)piperazin-1-ium-1-yl]acetic acid chloride hydrochloride Formula: C19H33Cl2N3O2 MolecularWeight: 406.39022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H31N3O2.2ClH/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;2*1H