N-[(2-methyl-3-tetradecoxy-phenyl)methyl]-N-[(1-propylpyridin-1-ium-3-yl)methyl]methanesulfonamide

Systemtic Name: N-[(2-methyl-3-tetradecoxy-phenyl)methyl]-N-[(1-propylpyridin-1-ium-3-yl)methyl]methanesulfonamide Openeye Name: N-[(2-methyl-3-tetradecoxy-phenyl)methyl]-N-[(1-propylpyridin-1-ium-3-yl)methyl]methanesulfonamide CAS Name: N-[(2-methyl-3-tetradecoxyphenyl)methyl]-N-[(1-propyl-3-pyridin-1-iumyl)methyl]methanesulfonamide IUPAC Name: N-[(2-methyl-3-tetradecoxyphenyl)methyl]-N-[(1-propylpyridin-1-ium-3-yl)methyl]methanesulfonamide Traditional Name: N-(2-methyl-3-myristyloxy-benzyl)-N-[(1-propylpyridin-1-ium-3-yl)methyl]methanesulfonamide Formula: C32H53N2O3S+ MolecularWeight: 545.83982

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC=CC(=C1C)CN(CC2=C[N+](=CC=C2)CCC)S(=O)(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC=CC(=C1C)CN(CC2=C[N+](=CC=C2)CCC)S(=O)(=O)C

InChI

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