N-[(3-chloranyl-2-tetradecoxy-phenyl)methyl]-N-[(1-ethylpyridin-1-ium-4-yl)methyl]methanesulfonamide

Systemtic Name: N-[(3-chloranyl-2-tetradecoxy-phenyl)methyl]-N-[(1-ethylpyridin-1-ium-4-yl)methyl]methanesulfonamide Openeye Name: N-[(3-chloro-2-tetradecoxy-phenyl)methyl]-N-[(1-ethylpyridin-1-ium-4-yl)methyl]methanesulfonamide CAS Name: N-[(3-chloro-2-tetradecoxyphenyl)methyl]-N-[(1-ethyl-4-pyridin-1-iumyl)methyl]methanesulfonamide IUPAC Name: N-[(3-chloro-2-tetradecoxyphenyl)methyl]-N-[(1-ethylpyridin-1-ium-4-yl)methyl]methanesulfonamide Traditional Name: N-(3-chloro-2-myristyloxy-benzyl)-N-[(1-ethylpyridin-1-ium-4-yl)methyl]methanesulfonamide Formula: C30H48ClN2O3S+ MolecularWeight: 552.23172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=CC=C1Cl)CN(CC2=CC=[N+](C=C2)CC)S(=O)(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=CC=C1Cl)CN(CC2=CC=[N+](C=C2)CC)S(=O)(=O)C

InChI

InChI=1S/C30H48ClN2O3S/c1-4-6-7-8-9-10-11-12-13-14-15-16-24-36-30-28(18-17-19-29(30)31)26-33(37(3,34)35)25-27-20-22-32(5-2)23-21-27/h17-23H,4-16,24-26H2,1-3H3/q+1