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

Systemtic Name: N-[(3-chloranyl-4-hexadecoxy-phenyl)methyl]-N-[(1-propylpyridin-1-ium-4-yl)methyl]methanesulfonamide Openeye Name: N-[(3-chloro-4-hexadecoxy-phenyl)methyl]-N-[(1-propylpyridin-1-ium-4-yl)methyl]methanesulfonamide CAS Name: N-[(3-chloro-4-hexadecoxyphenyl)methyl]-N-[(1-propyl-4-pyridin-1-iumyl)methyl]methanesulfonamide IUPAC Name: N-[(3-chloro-4-hexadecoxyphenyl)methyl]-N-[(1-propylpyridin-1-ium-4-yl)methyl]methanesulfonamide Traditional Name: N-(4-cetyloxy-3-chloro-benzyl)-N-[(1-propylpyridin-1-ium-4-yl)methyl]methanesulfonamide Formula: C33H54ClN2O3S+ MolecularWeight: 594.31146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=CC=[N+](C=C2)CCC)S(=O)(=O)C)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=CC=[N+](C=C2)CCC)S(=O)(=O)C)Cl

InChI

InChI=1S/C33H54ClN2O3S/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-26-39-33-20-19-31(27-32(33)34)29-36(40(3,37)38)28-30-21-24-35(23-5-2)25-22-30/h19-22,24-25,27H,4-18,23,26,28-29H2,1-3H3/q+1