N-[(3-tert-butyl-2-tetradecoxy-phenyl)methyl]-N-[(1-propylpyridin-1-ium-4-yl)methyl]methanesulfonamide

Systemtic Name: N-[(3-tert-butyl-2-tetradecoxy-phenyl)methyl]-N-[(1-propylpyridin-1-ium-4-yl)methyl]methanesulfonamide Openeye Name: N-[(3-tert-butyl-2-tetradecoxy-phenyl)methyl]-N-[(1-propylpyridin-1-ium-4-yl)methyl]methanesulfonamide CAS Name: N-[(3-tert-butyl-2-tetradecoxyphenyl)methyl]-N-[(1-propyl-4-pyridin-1-iumyl)methyl]methanesulfonamide IUPAC Name: N-[(3-tert-butyl-2-tetradecoxyphenyl)methyl]-N-[(1-propylpyridin-1-ium-4-yl)methyl]methanesulfonamide Traditional Name: N-(3-tert-butyl-2-myristyloxy-benzyl)-N-[(1-propylpyridin-1-ium-4-yl)methyl]methanesulfonamide Formula: C35H59N2O3S+ MolecularWeight: 587.91956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H59N2O3S/c1-7-9-10-11-12-13-14-15-16-17-18-19-28-40-34-32(21-20-22-33(34)35(3,4)5)30-37(41(6,38)39)29-31-23-26-36(25-8-2)27-24-31/h20-24,26-27H,7-19,25,28-30H2,1-6H3/q+1