6-[4-(4-pyridin-4-ylhexan-2-yl)pyridin-1-ium-1-yl]hexanoic acid

Systemtic Name: 6-[4-(4-pyridin-4-ylhexan-2-yl)pyridin-1-ium-1-yl]hexanoic acid Openeye Name: 6-[4-[1-methyl-3-(4-pyridyl)pentyl]pyridin-1-ium-1-yl]hexanoic acid CAS Name: 6-[4-(4-pyridin-4-ylhexan-2-yl)-1-pyridin-1-iumyl]hexanoic acid IUPAC Name: 6-[4-(4-pyridin-4-ylhexan-2-yl)pyridin-1-ium-1-yl]hexanoic acid Traditional Name: 6-[4-[1-methyl-3-(4-pyridyl)pentyl]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=[N+](C=C1)CCCCCC(=O)O)C2=CC=NC=C2

Isomeric SMILES

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

InChI

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