6-[4-(7-phenyl-5-pyridin-4-yl-nonan-3-yl)pyridin-1-ium-1-yl]hexanoic acid

Systemtic Name: 6-[4-(7-phenyl-5-pyridin-4-yl-nonan-3-yl)pyridin-1-ium-1-yl]hexanoic acid Openeye Name: 6-[4-[1-ethyl-5-phenyl-3-(4-pyridyl)heptyl]pyridin-1-ium-1-yl]hexanoic acid CAS Name: 6-[4-(7-phenyl-5-pyridin-4-ylnonan-3-yl)-1-pyridin-1-iumyl]hexanoic acid IUPAC Name: 6-[4-(7-phenyl-5-pyridin-4-ylnonan-3-yl)pyridin-1-ium-1-yl]hexanoic acid Traditional Name: 6-[4-[1-ethyl-5-phenyl-3-(4-pyridyl)heptyl]pyridin-1-ium-1-yl]hexanoic acid Formula: C31H41N2O2+ MolecularWeight: 473.66944

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(CC(CC)C1=CC=[N+](C=C1)CCCCCC(=O)O)C2=CC=NC=C2)C3=CC=CC=C3

Isomeric SMILES

CCC(CC(CC(CC)C1=CC=[N+](C=C1)CCCCCC(=O)O)C2=CC=NC=C2)C3=CC=CC=C3

InChI

InChI=1S/C31H40N2O2/c1-3-25(27-11-7-5-8-12-27)23-30(28-14-18-32-19-15-28)24-26(4-2)29-16-21-33(22-17-29)20-10-6-9-13-31(34)35/h5,7-8,11-12,14-19,21-22,25-26,30H,3-4,6,9-10,13,20,23-24H2,1-2H3/p+1