N-[(4-hexadecoxy-2-methyl-phenyl)methyl]-N-[(1-methylpyridin-1-ium-2-yl)methyl]methanesulfonamide

Systemtic Name: N-[(4-hexadecoxy-2-methyl-phenyl)methyl]-N-[(1-methylpyridin-1-ium-2-yl)methyl]methanesulfonamide Openeye Name: N-[(4-hexadecoxy-2-methyl-phenyl)methyl]-N-[(1-methylpyridin-1-ium-2-yl)methyl]methanesulfonamide CAS Name: N-[(4-hexadecoxy-2-methylphenyl)methyl]-N-[(1-methyl-2-pyridin-1-iumyl)methyl]methanesulfonamide IUPAC Name: N-[(4-hexadecoxy-2-methylphenyl)methyl]-N-[(1-methylpyridin-1-ium-2-yl)methyl]methanesulfonamide Traditional Name: N-(4-cetyloxy-2-methyl-benzyl)-N-[(1-methylpyridin-1-ium-2-yl)methyl]methanesulfonamide Formula: C32H53N2O3S+ MolecularWeight: 545.83982

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)CN(CC2=CC=CC=[N+]2C)S(=O)(=O)C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)CN(CC2=CC=CC=[N+]2C)S(=O)(=O)C)C

InChI

InChI=1S/C32H53N2O3S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-25-37-32-23-22-30(29(2)26-32)27-34(38(4,35)36)28-31-21-18-19-24-33(31)3/h18-19,21-24,26H,5-17,20,25,27-28H2,1-4H3/q+1