3,6-bis(chloranyl)-N-[2-(1-dodecylpiperidin-1-ium-1-yl)ethyl]pyridine-2-carboxamide bromide

Systemtic Name: 3,6-bis(chloranyl)-N-[2-(1-dodecylpiperidin-1-ium-1-yl)ethyl]pyridine-2-carboxamide bromide Openeye Name: 3,6-dichloro-N-[2-(1-dodecylpiperidin-1-ium-1-yl)ethyl]pyridine-2-carboxamide bromide CAS Name: 3,6-dichloro-N-[2-(1-dodecyl-1-piperidin-1-iumyl)ethyl]-2-pyridinecarboxamide bromide IUPAC Name: 3,6-dichloro-N-[2-(1-dodecylpiperidin-1-ium-1-yl)ethyl]pyridine-2-carboxamide bromide Traditional Name: 3,6-dichloro-N-[2-(1-laurylpiperidin-1-ium-1-yl)ethyl]picolinamide bromide Formula: C25H42BrCl2N3O MolecularWeight: 551.43048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+]1(CCCCC1)CCNC(=O)C2=C(C=CC(=N2)Cl)Cl.[Br-]

Isomeric SMILES

CCCCCCCCCCCC[N+]1(CCCCC1)CCNC(=O)C2=C(C=CC(=N2)Cl)Cl.[Br-]

InChI

InChI=1S/C25H41Cl2N3O.BrH/c1-2-3-4-5-6-7-8-9-10-12-18-30(19-13-11-14-20-30)21-17-28-25(31)24-22(26)15-16-23(27)29-24;/h15-16H,2-14,17-21H2,1H3;1H