1-octyl-4-pyridin-4-yl-piperazin-1-ium-1-carboxylate

Systemtic Name: 1-octyl-4-pyridin-4-yl-piperazin-1-ium-1-carboxylate Openeye Name: 1-octyl-4-(4-pyridyl)piperazin-1-ium-1-carboxylate CAS Name: 1-octyl-4-pyridin-4-yl-1-piperazin-1-iumcarboxylate IUPAC Name: 1-octyl-4-pyridin-4-ylpiperazin-1-ium-1-carboxylate Traditional Name: 1-octyl-4-(4-pyridyl)piperazin-1-ium-1-carboxylate Formula: C18H29N3O2 MolecularWeight: 319.44176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3O2/c1-2-3-4-5-6-7-14-21(18(22)23)15-12-20(13-16-21)17-8-10-19-11-9-17/h8-11H,2-7,12-16H2,1H3