N-[(4-dodecoxy-3-methoxy-phenyl)methyl]-N-[(1-methylpyridin-1-ium-3-yl)methyl]methanesulfonamide

Systemtic Name: N-[(4-dodecoxy-3-methoxy-phenyl)methyl]-N-[(1-methylpyridin-1-ium-3-yl)methyl]methanesulfonamide Openeye Name: N-[(4-dodecoxy-3-methoxy-phenyl)methyl]-N-[(1-methylpyridin-1-ium-3-yl)methyl]methanesulfonamide CAS Name: N-[(4-dodecoxy-3-methoxyphenyl)methyl]-N-[(1-methyl-3-pyridin-1-iumyl)methyl]methanesulfonamide IUPAC Name: N-[(4-dodecoxy-3-methoxyphenyl)methyl]-N-[(1-methylpyridin-1-ium-3-yl)methyl]methanesulfonamide Traditional Name: N-(4-lauryloxy-3-methoxy-benzyl)-N-[(1-methylpyridin-1-ium-3-yl)methyl]methanesulfonamide Formula: C28H45N2O4S+ MolecularWeight: 505.7329

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=C[N+](=CC=C2)C)S(=O)(=O)C)OC

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=C[N+](=CC=C2)C)S(=O)(=O)C)OC

InChI

InChI=1S/C28H45N2O4S/c1-5-6-7-8-9-10-11-12-13-14-20-34-27-18-17-25(21-28(27)33-3)23-30(35(4,31)32)24-26-16-15-19-29(2)22-26/h15-19,21-22H,5-14,20,23-24H2,1-4H3/q+1