1,3-dimethyl-5-(4-methylphenyl)sulfonyl-4-(3-tetradecoxyphenyl)pyridin-1-ium-2-amine iodide

Systemtic Name: 1,3-dimethyl-5-(4-methylphenyl)sulfonyl-4-(3-tetradecoxyphenyl)pyridin-1-ium-2-amine iodide Openeye Name: 1,3-dimethyl-5-(p-tolylsulfonyl)-4-(3-tetradecoxyphenyl)pyridin-1-ium-2-amine iodide CAS Name: 1,3-dimethyl-5-(4-methylphenyl)sulfonyl-4-(3-tetradecoxyphenyl)-2-pyridin-1-iumamine iodide IUPAC Name: 1,3-dimethyl-5-(4-methylphenyl)sulfonyl-4-(3-tetradecoxyphenyl)pyridin-1-ium-2-amine iodide Traditional Name: [1,3-dimethyl-4-(3-myristyloxyphenyl)-5-tosyl-pyridin-1-ium-2-yl]amine iodide Formula: C34H49IN2O3S MolecularWeight: 692.73393

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC=CC(=C1)C2=C(C(=[N+](C=C2S(=O)(=O)C3=CC=C(C=C3)C)C)N)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC=CC(=C1)C2=C(C(=[N+](C=C2S(=O)(=O)C3=CC=C(C=C3)C)C)N)C.[I-]

InChI

InChI=1S/C34H48N2O3S.HI/c1-5-6-7-8-9-10-11-12-13-14-15-16-24-39-30-19-17-18-29(25-30)33-28(3)34(35)36(4)26-32(33)40(37,38)31-22-20-27(2)21-23-31;/h17-23,25-26,35H,5-16,24H2,1-4H3;1H