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

Systemtic Name: 6-[4-(7-phenyl-5-pyridin-4-yl-octan-3-yl)pyridin-1-ium-1-yl]hexanoic acid Openeye Name: 6-[4-[1-ethyl-5-phenyl-3-(4-pyridyl)hexyl]pyridin-1-ium-1-yl]hexanoic acid CAS Name: 6-[4-(7-phenyl-5-pyridin-4-yloctan-3-yl)-1-pyridin-1-iumyl]hexanoic acid IUPAC Name: 6-[4-(7-phenyl-5-pyridin-4-yloctan-3-yl)pyridin-1-ium-1-yl]hexanoic acid Traditional Name: 6-[4-[1-ethyl-5-phenyl-3-(4-pyridyl)hexyl]pyridin-1-ium-1-yl]hexanoic acid Formula: C30H39N2O2+ MolecularWeight: 459.64286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H38N2O2/c1-3-25(28-15-20-32(21-16-28)19-9-5-8-12-30(33)34)23-29(27-13-17-31-18-14-27)22-24(2)26-10-6-4-7-11-26/h4,6-7,10-11,13-18,20-21,24-25,29H,3,5,8-9,12,19,22-23H2,1-2H3/p+1