N-[(1-ethylpyridin-1-ium-4-yl)methyl]-N-[(4-hexadecoxy-3-methoxy-phenyl)methyl]methanesulfonamide

Systemtic Name: N-[(1-ethylpyridin-1-ium-4-yl)methyl]-N-[(4-hexadecoxy-3-methoxy-phenyl)methyl]methanesulfonamide Openeye Name: N-[(1-ethylpyridin-1-ium-4-yl)methyl]-N-[(4-hexadecoxy-3-methoxy-phenyl)methyl]methanesulfonamide CAS Name: N-[(1-ethyl-4-pyridin-1-iumyl)methyl]-N-[(4-hexadecoxy-3-methoxyphenyl)methyl]methanesulfonamide IUPAC Name: N-[(1-ethylpyridin-1-ium-4-yl)methyl]-N-[(4-hexadecoxy-3-methoxyphenyl)methyl]methanesulfonamide Traditional Name: N-(4-cetyloxy-3-methoxy-benzyl)-N-[(1-ethylpyridin-1-ium-4-yl)methyl]methanesulfonamide Formula: C33H55N2O4S+ MolecularWeight: 575.8658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=CC=[N+](C=C2)CC)S(=O)(=O)C)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=CC=[N+](C=C2)CC)S(=O)(=O)C)OC

InChI

InChI=1S/C33H55N2O4S/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-26-39-32-21-20-31(27-33(32)38-3)29-35(40(4,36)37)28-30-22-24-34(6-2)25-23-30/h20-25,27H,5-19,26,28-29H2,1-4H3/q+1