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

Systemtic Name: N-[(3-tert-butyl-2-tetradecoxy-phenyl)methyl]-N-[(1-ethylpyridin-1-ium-3-yl)methyl]methanesulfonamide Openeye Name: N-[(3-tert-butyl-2-tetradecoxy-phenyl)methyl]-N-[(1-ethylpyridin-1-ium-3-yl)methyl]methanesulfonamide CAS Name: N-[(3-tert-butyl-2-tetradecoxyphenyl)methyl]-N-[(1-ethyl-3-pyridin-1-iumyl)methyl]methanesulfonamide IUPAC Name: N-[(3-tert-butyl-2-tetradecoxyphenyl)methyl]-N-[(1-ethylpyridin-1-ium-3-yl)methyl]methanesulfonamide Traditional Name: N-(3-tert-butyl-2-myristyloxy-benzyl)-N-[(1-ethylpyridin-1-ium-3-yl)methyl]methanesulfonamide Formula: C34H57N2O3S+ MolecularWeight: 573.89298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H57N2O3S/c1-7-9-10-11-12-13-14-15-16-17-18-19-26-39-33-31(23-20-24-32(33)34(3,4)5)29-36(40(6,37)38)28-30-22-21-25-35(8-2)27-30/h20-25,27H,7-19,26,28-29H2,1-6H3/q+1