N-[(3-chloranyl-2-tetradecoxy-phenyl)methyl]-4-methyl-N-[(1-methylpyridin-1-ium-3-yl)methyl]benzenesulfonamide iodide

Systemtic Name: N-[(3-chloranyl-2-tetradecoxy-phenyl)methyl]-4-methyl-N-[(1-methylpyridin-1-ium-3-yl)methyl]benzenesulfonamide iodide Openeye Name: N-[(3-chloro-2-tetradecoxy-phenyl)methyl]-4-methyl-N-[(1-methylpyridin-1-ium-3-yl)methyl]benzenesulfonamide iodide CAS Name: N-[(3-chloro-2-tetradecoxyphenyl)methyl]-4-methyl-N-[(1-methyl-3-pyridin-1-iumyl)methyl]benzenesulfonamide iodide IUPAC Name: N-[(3-chloro-2-tetradecoxyphenyl)methyl]-4-methyl-N-[(1-methylpyridin-1-ium-3-yl)methyl]benzenesulfonamide iodide Traditional Name: N-(3-chloro-2-myristyloxy-benzyl)-4-methyl-N-[(1-methylpyridin-1-ium-3-yl)methyl]benzenesulfonamide iodide Formula: C35H50ClIN2O3S MolecularWeight: 741.20557

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=CC=C1Cl)CN(CC2=C[N+](=CC=C2)C)S(=O)(=O)C3=CC=C(C=C3)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=CC=C1Cl)CN(CC2=C[N+](=CC=C2)C)S(=O)(=O)C3=CC=C(C=C3)C.[I-]

InChI

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