1-[16-(2-azanyl-4-methyl-pyridin-1-ium-1-yl)hexadecyl]-4-methyl-pyridin-1-ium-2-amine

Systemtic Name: 1-[16-(2-azanyl-4-methyl-pyridin-1-ium-1-yl)hexadecyl]-4-methyl-pyridin-1-ium-2-amine Openeye Name: 1-[16-(2-amino-4-methyl-pyridin-1-ium-1-yl)hexadecyl]-4-methyl-pyridin-1-ium-2-amine CAS Name: 1-[16-(2-amino-4-methyl-1-pyridin-1-iumyl)hexadecyl]-4-methyl-2-pyridin-1-iumamine IUPAC Name: 1-[16-(2-amino-4-methylpyridin-1-ium-1-yl)hexadecyl]-4-methylpyridin-1-ium-2-amine Traditional Name: [1-[16-(2-amino-4-methyl-pyridin-1-ium-1-yl)hexadecyl]-4-methyl-pyridin-1-ium-2-yl]amine Formula: C28H48N4+2 MolecularWeight: 440.70752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+](C=C1)CCCCCCCCCCCCCCCC[N+]2=C(C=C(C=C2)C)N)N

Isomeric SMILES

CC1=CC(=[N+](C=C1)CCCCCCCCCCCCCCCC[N+]2=C(C=C(C=C2)C)N)N

InChI

InChI=1S/C28H46N4/c1-25-17-21-31(27(29)23-25)19-15-13-11-9-7-5-3-4-6-8-10-12-14-16-20-32-22-18-26(2)24-28(32)30/h17-18,21-24,29-30H,3-16,19-20H2,1-2H3/p+2