N-[(3-chloranyl-4-dodecoxy-phenyl)methyl]-4-methyl-N-[(1-propylpyridin-1-ium-4-yl)methyl]benzenesulfonamide

Systemtic Name: N-[(3-chloranyl-4-dodecoxy-phenyl)methyl]-4-methyl-N-[(1-propylpyridin-1-ium-4-yl)methyl]benzenesulfonamide Openeye Name: N-[(3-chloro-4-dodecoxy-phenyl)methyl]-4-methyl-N-[(1-propylpyridin-1-ium-4-yl)methyl]benzenesulfonamide CAS Name: N-[(3-chloro-4-dodecoxyphenyl)methyl]-4-methyl-N-[(1-propyl-4-pyridin-1-iumyl)methyl]benzenesulfonamide IUPAC Name: N-[(3-chloro-4-dodecoxyphenyl)methyl]-4-methyl-N-[(1-propylpyridin-1-ium-4-yl)methyl]benzenesulfonamide Traditional Name: N-(3-chloro-4-lauryloxy-benzyl)-4-methyl-N-[(1-propylpyridin-1-ium-4-yl)methyl]benzenesulfonamide Formula: C35H50ClN2O3S+ MolecularWeight: 614.3011

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=CC=[N+](C=C2)CCC)S(=O)(=O)C3=CC=C(C=C3)C)Cl

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=CC=[N+](C=C2)CCC)S(=O)(=O)C3=CC=C(C=C3)C)Cl

InChI

InChI=1S/C35H50ClN2O3S/c1-4-6-7-8-9-10-11-12-13-14-26-41-35-20-17-32(27-34(35)36)29-38(28-31-21-24-37(23-5-2)25-22-31)42(39,40)33-18-15-30(3)16-19-33/h15-22,24-25,27H,4-14,23,26,28-29H2,1-3H3/q+1