N-[(3-chloranyl-4-dodecoxy-phenyl)methyl]-N-[(1-ethylpyridin-1-ium-3-yl)methyl]methanesulfonamide

Systemtic Name: N-[(3-chloranyl-4-dodecoxy-phenyl)methyl]-N-[(1-ethylpyridin-1-ium-3-yl)methyl]methanesulfonamide Openeye Name: N-[(3-chloro-4-dodecoxy-phenyl)methyl]-N-[(1-ethylpyridin-1-ium-3-yl)methyl]methanesulfonamide CAS Name: N-[(3-chloro-4-dodecoxyphenyl)methyl]-N-[(1-ethyl-3-pyridin-1-iumyl)methyl]methanesulfonamide IUPAC Name: N-[(3-chloro-4-dodecoxyphenyl)methyl]-N-[(1-ethylpyridin-1-ium-3-yl)methyl]methanesulfonamide Traditional Name: N-(3-chloro-4-lauryloxy-benzyl)-N-[(1-ethylpyridin-1-ium-3-yl)methyl]methanesulfonamide Formula: C28H44ClN2O3S+ MolecularWeight: 524.17856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H44ClN2O3S/c1-4-6-7-8-9-10-11-12-13-14-20-34-28-18-17-25(21-27(28)29)23-31(35(3,32)33)24-26-16-15-19-30(5-2)22-26/h15-19,21-22H,4-14,20,23-24H2,1-3H3/q+1