N-[(4-hexadecoxy-2-methyl-phenyl)methyl]-4-methyl-N-[(1-propylpyridin-1-ium-3-yl)methyl]benzenesulfonamide

Systemtic Name: N-[(4-hexadecoxy-2-methyl-phenyl)methyl]-4-methyl-N-[(1-propylpyridin-1-ium-3-yl)methyl]benzenesulfonamide Openeye Name: N-[(4-hexadecoxy-2-methyl-phenyl)methyl]-4-methyl-N-[(1-propylpyridin-1-ium-3-yl)methyl]benzenesulfonamide CAS Name: N-[(4-hexadecoxy-2-methylphenyl)methyl]-4-methyl-N-[(1-propyl-3-pyridin-1-iumyl)methyl]benzenesulfonamide IUPAC Name: N-[(4-hexadecoxy-2-methylphenyl)methyl]-4-methyl-N-[(1-propylpyridin-1-ium-3-yl)methyl]benzenesulfonamide Traditional Name: N-(4-cetyloxy-2-methyl-benzyl)-4-methyl-N-[(1-propylpyridin-1-ium-3-yl)methyl]benzenesulfonamide Formula: C40H61N2O3S+ MolecularWeight: 649.98894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)CN(CC2=C[N+](=CC=C2)CCC)S(=O)(=O)C3=CC=C(C=C3)C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)CN(CC2=C[N+](=CC=C2)CCC)S(=O)(=O)C3=CC=C(C=C3)C)C

InChI

InChI=1S/C40H61N2O3S/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-30-45-39-25-24-38(36(4)31-39)34-42(33-37-21-20-29-41(32-37)28-6-2)46(43,44)40-26-22-35(3)23-27-40/h20-27,29,31-32H,5-19,28,30,33-34H2,1-4H3/q+1