N-[(3-chloranyl-4-tetradecoxy-phenyl)methyl]-4-methyl-N-[(1-methylpyridin-1-ium-4-yl)methyl]benzenesulfonamide iodide

Systemtic Name: N-[(3-chloranyl-4-tetradecoxy-phenyl)methyl]-4-methyl-N-[(1-methylpyridin-1-ium-4-yl)methyl]benzenesulfonamide iodide Openeye Name: N-[(3-chloro-4-tetradecoxy-phenyl)methyl]-4-methyl-N-[(1-methylpyridin-1-ium-4-yl)methyl]benzenesulfonamide iodide CAS Name: N-[(3-chloro-4-tetradecoxyphenyl)methyl]-4-methyl-N-[(1-methyl-4-pyridin-1-iumyl)methyl]benzenesulfonamide iodide IUPAC Name: N-[(3-chloro-4-tetradecoxyphenyl)methyl]-4-methyl-N-[(1-methylpyridin-1-ium-4-yl)methyl]benzenesulfonamide iodide Traditional Name: N-(3-chloro-4-myristyloxy-benzyl)-4-methyl-N-[(1-methylpyridin-1-ium-4-yl)methyl]benzenesulfonamide iodide Formula: C35H50ClIN2O3S MolecularWeight: 741.20557

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=CC=[N+](C=C2)C)S(=O)(=O)C3=CC=C(C=C3)C)Cl.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=CC=[N+](C=C2)C)S(=O)(=O)C3=CC=C(C=C3)C)Cl.[I-]

InChI

InChI=1S/C35H50ClN2O3S.HI/c1-4-5-6-7-8-9-10-11-12-13-14-15-26-41-35-21-18-32(27-34(35)36)29-38(28-31-22-24-37(3)25-23-31)42(39,40)33-19-16-30(2)17-20-33;/h16-25,27H,4-15,26,28-29H2,1-3H3;1H/q+1;/p-1