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

Systemtic Name: N-[(3-chloranyl-2-tetradecoxy-phenyl)methyl]-4-methyl-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzenesulfonamide iodide Openeye Name: N-[(3-chloro-2-tetradecoxy-phenyl)methyl]-4-methyl-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzenesulfonamide iodide CAS Name: N-[(3-chloro-2-tetradecoxyphenyl)methyl]-4-methyl-N-[(1-propyl-2-pyridin-1-iumyl)methyl]benzenesulfonamide iodide IUPAC Name: N-[(3-chloro-2-tetradecoxyphenyl)methyl]-4-methyl-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzenesulfonamide iodide Traditional Name: N-(3-chloro-2-myristyloxy-benzyl)-4-methyl-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzenesulfonamide iodide Formula: C37H54ClIN2O3S MolecularWeight: 769.25873

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=CC=C1Cl)CN(CC2=CC=CC=[N+]2CCC)S(=O)(=O)C3=CC=C(C=C3)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=CC=C1Cl)CN(CC2=CC=CC=[N+]2CCC)S(=O)(=O)C3=CC=C(C=C3)C.[I-]

InChI

InChI=1S/C37H54ClN2O3S.HI/c1-4-6-7-8-9-10-11-12-13-14-15-18-29-43-37-33(20-19-22-36(37)38)30-40(31-34-21-16-17-28-39(34)27-5-2)44(41,42)35-25-23-32(3)24-26-35;/h16-17,19-26,28H,4-15,18,27,29-31H2,1-3H3;1H/q+1;/p-1