6-[4-(5-pyridin-4-ylhexan-3-yl)pyridin-1-ium-1-yl]hexanoic acid

Systemtic Name: 6-[4-(5-pyridin-4-ylhexan-3-yl)pyridin-1-ium-1-yl]hexanoic acid Openeye Name: 6-[4-[1-ethyl-3-(4-pyridyl)butyl]pyridin-1-ium-1-yl]hexanoic acid CAS Name: 6-[4-(5-pyridin-4-ylhexan-3-yl)-1-pyridin-1-iumyl]hexanoic acid IUPAC Name: 6-[4-(5-pyridin-4-ylhexan-3-yl)pyridin-1-ium-1-yl]hexanoic acid Traditional Name: 6-[4-[1-ethyl-3-(4-pyridyl)butyl]pyridin-1-ium-1-yl]hexanoic acid Formula: C22H31N2O2+ MolecularWeight: 355.49374

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(C)C1=CC=NC=C1)C2=CC=[N+](C=C2)CCCCCC(=O)O

Isomeric SMILES

CCC(CC(C)C1=CC=NC=C1)C2=CC=[N+](C=C2)CCCCCC(=O)O

InChI

InChI=1S/C22H30N2O2/c1-3-19(17-18(2)20-8-12-23-13-9-20)21-10-15-24(16-11-21)14-6-4-5-7-22(25)26/h8-13,15-16,18-19H,3-7,14,17H2,1-2H3/p+1