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

Systemtic Name: N-[(3-chloranyl-2-tetradecoxy-phenyl)methyl]-N-[(1-propylpyridin-1-ium-2-yl)methyl]methanesulfonamide Openeye Name: N-[(3-chloro-2-tetradecoxy-phenyl)methyl]-N-[(1-propylpyridin-1-ium-2-yl)methyl]methanesulfonamide CAS Name: N-[(3-chloro-2-tetradecoxyphenyl)methyl]-N-[(1-propyl-2-pyridin-1-iumyl)methyl]methanesulfonamide IUPAC Name: N-[(3-chloro-2-tetradecoxyphenyl)methyl]-N-[(1-propylpyridin-1-ium-2-yl)methyl]methanesulfonamide Traditional Name: N-(3-chloro-2-myristyloxy-benzyl)-N-[(1-propylpyridin-1-ium-2-yl)methyl]methanesulfonamide Formula: C31H50ClN2O3S+ MolecularWeight: 566.2583

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=CC=C1Cl)CN(CC2=CC=CC=[N+]2CCC)S(=O)(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=CC=C1Cl)CN(CC2=CC=CC=[N+]2CCC)S(=O)(=O)C

InChI

InChI=1S/C31H50ClN2O3S/c1-4-6-7-8-9-10-11-12-13-14-15-18-25-37-31-28(20-19-22-30(31)32)26-34(38(3,35)36)27-29-21-16-17-24-33(29)23-5-2/h16-17,19-22,24H,4-15,18,23,25-27H2,1-3H3/q+1