N-[(3-chloranyl-4-tetradecoxy-phenyl)methyl]-1-(1-ethylpyridin-1-ium-2-yl)-1-methylsulfonyl-methanamine iodide

Systemtic Name: N-[(3-chloranyl-4-tetradecoxy-phenyl)methyl]-1-(1-ethylpyridin-1-ium-2-yl)-1-methylsulfonyl-methanamine iodide Openeye Name: N-[(3-chloro-4-tetradecoxy-phenyl)methyl]-1-(1-ethylpyridin-1-ium-2-yl)-1-methylsulfonyl-methanamine iodide CAS Name: N-[(3-chloro-4-tetradecoxyphenyl)methyl]-1-(1-ethyl-2-pyridin-1-iumyl)-1-methylsulfonylmethanamine iodide IUPAC Name: N-[(3-chloro-4-tetradecoxyphenyl)methyl]-1-(1-ethylpyridin-1-ium-2-yl)-1-methylsulfonylmethanamine iodide Traditional Name: (3-chloro-4-myristyloxy-benzyl)-[(1-ethylpyridin-1-ium-2-yl)-mesyl-methyl]amine iodide Formula: C30H48ClIN2O3S MolecularWeight: 679.13619

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)CNC(C2=CC=CC=[N+]2CC)S(=O)(=O)C)Cl.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)CNC(C2=CC=CC=[N+]2CC)S(=O)(=O)C)Cl.[I-]

InChI

InChI=1S/C30H48ClN2O3S.HI/c1-4-6-7-8-9-10-11-12-13-14-15-18-23-36-29-21-20-26(24-27(29)31)25-32-30(37(3,34)35)28-19-16-17-22-33(28)5-2;/h16-17,19-22,24,30,32H,4-15,18,23,25H2,1-3H3;1H/q+1;/p-1