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

Systemtic Name: N-[(4-dodecoxy-3-methoxy-phenyl)methyl]-N-[(1-propylpyridin-1-ium-4-yl)methyl]methanesulfonamide Openeye Name: N-[(4-dodecoxy-3-methoxy-phenyl)methyl]-N-[(1-propylpyridin-1-ium-4-yl)methyl]methanesulfonamide CAS Name: N-[(4-dodecoxy-3-methoxyphenyl)methyl]-N-[(1-propyl-4-pyridin-1-iumyl)methyl]methanesulfonamide IUPAC Name: N-[(4-dodecoxy-3-methoxyphenyl)methyl]-N-[(1-propylpyridin-1-ium-4-yl)methyl]methanesulfonamide Traditional Name: N-(4-lauryloxy-3-methoxy-benzyl)-N-[(1-propylpyridin-1-ium-4-yl)methyl]methanesulfonamide Formula: C30H49N2O4S+ MolecularWeight: 533.78606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H49N2O4S/c1-5-7-8-9-10-11-12-13-14-15-23-36-29-17-16-28(24-30(29)35-3)26-32(37(4,33)34)25-27-18-21-31(20-6-2)22-19-27/h16-19,21-22,24H,5-15,20,23,25-26H2,1-4H3/q+1