4-methyl-1-(12-pyridin-3-yldodecyl)pyridin-1-ium bromide

Systemtic Name: 4-methyl-1-(12-pyridin-3-yldodecyl)pyridin-1-ium bromide Openeye Name: 4-methyl-1-[12-(3-pyridyl)dodecyl]pyridin-1-ium bromide CAS Name: 4-methyl-1-[12-(3-pyridinyl)dodecyl]pyridin-1-ium bromide IUPAC Name: 4-methyl-1-(12-pyridin-3-yldodecyl)pyridin-1-ium bromide Traditional Name: 4-methyl-1-[12-(3-pyridyl)dodecyl]pyridin-1-ium bromide Formula: C23H35BrN2 MolecularWeight: 419.4414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[N+](C=C1)CCCCCCCCCCCCC2=CN=CC=C2.[Br-]

Isomeric SMILES

CC1=CC=[N+](C=C1)CCCCCCCCCCCCC2=CN=CC=C2.[Br-]

InChI

InChI=1S/C23H35N2.BrH/c1-22-15-19-25(20-16-22)18-11-9-7-5-3-2-4-6-8-10-13-23-14-12-17-24-21-23;/h12,14-17,19-21H,2-11,13,18H2,1H3;1H/q+1;/p-1