1-dodecan-2-yl-4-(4-pyridin-4-ylhexan-2-yl)pyridin-1-ium

Systemtic Name: 1-dodecan-2-yl-4-(4-pyridin-4-ylhexan-2-yl)pyridin-1-ium Openeye Name: 4-[1-methyl-3-(4-pyridyl)pentyl]-1-(1-methylundecyl)pyridin-1-ium CAS Name: 1-dodecan-2-yl-4-(4-pyridin-4-ylhexan-2-yl)pyridin-1-ium IUPAC Name: 1-dodecan-2-yl-4-(4-pyridin-4-ylhexan-2-yl)pyridin-1-ium Traditional Name: 4-[1-methyl-3-(4-pyridyl)pentyl]-1-(1-methylundecyl)pyridin-1-ium Formula: C28H45N2+ MolecularWeight: 409.6703

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C)[N+]1=CC=C(C=C1)C(C)CC(CC)C2=CC=NC=C2

Isomeric SMILES

CCCCCCCCCCC(C)[N+]1=CC=C(C=C1)C(C)CC(CC)C2=CC=NC=C2

InChI

InChI=1S/C28H45N2/c1-5-7-8-9-10-11-12-13-14-25(4)30-21-17-27(18-22-30)24(3)23-26(6-2)28-15-19-29-20-16-28/h15-22,24-26H,5-14,23H2,1-4H3/q+1