N-[(4-hexadecoxy-3-methoxy-phenyl)methyl]-N-[(1-propylpyridin-1-ium-2-yl)methyl]methanesulfonamide

Systemtic Name: N-[(4-hexadecoxy-3-methoxy-phenyl)methyl]-N-[(1-propylpyridin-1-ium-2-yl)methyl]methanesulfonamide Openeye Name: N-[(4-hexadecoxy-3-methoxy-phenyl)methyl]-N-[(1-propylpyridin-1-ium-2-yl)methyl]methanesulfonamide CAS Name: N-[(4-hexadecoxy-3-methoxyphenyl)methyl]-N-[(1-propyl-2-pyridin-1-iumyl)methyl]methanesulfonamide IUPAC Name: N-[(4-hexadecoxy-3-methoxyphenyl)methyl]-N-[(1-propylpyridin-1-ium-2-yl)methyl]methanesulfonamide Traditional Name: N-(4-cetyloxy-3-methoxy-benzyl)-N-[(1-propylpyridin-1-ium-2-yl)methyl]methanesulfonamide Formula: C34H57N2O4S+ MolecularWeight: 589.89238

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=CC=CC=[N+]2CCC)S(=O)(=O)C)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=CC=CC=[N+]2CCC)S(=O)(=O)C)OC

InChI

InChI=1S/C34H57N2O4S/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-21-27-40-33-24-23-31(28-34(33)39-3)29-36(41(4,37)38)30-32-22-19-20-26-35(32)25-6-2/h19-20,22-24,26,28H,5-18,21,25,27,29-30H2,1-4H3/q+1