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

Systemtic Name: 1-(1-ethylpyridin-1-ium-2-yl)-N-[(3-methoxy-4-tetradecoxy-phenyl)methyl]-1-methylsulfonyl-methanamine iodide Openeye Name: 1-(1-ethylpyridin-1-ium-2-yl)-N-[(3-methoxy-4-tetradecoxy-phenyl)methyl]-1-methylsulfonyl-methanamine iodide CAS Name: 1-(1-ethyl-2-pyridin-1-iumyl)-N-[(3-methoxy-4-tetradecoxyphenyl)methyl]-1-methylsulfonylmethanamine iodide IUPAC Name: 1-(1-ethylpyridin-1-ium-2-yl)-N-[(3-methoxy-4-tetradecoxyphenyl)methyl]-1-methylsulfonylmethanamine iodide Traditional Name: [(1-ethylpyridin-1-ium-2-yl)-mesyl-methyl]-(3-methoxy-4-myristyloxy-benzyl)amine iodide Formula: C31H51IN2O4S MolecularWeight: 674.71711

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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)OC.[I-]

Isomeric SMILES

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

InChI

InChI=1S/C31H51N2O4S.HI/c1-5-7-8-9-10-11-12-13-14-15-16-19-24-37-29-22-21-27(25-30(29)36-3)26-32-31(38(4,34)35)28-20-17-18-23-33(28)6-2;/h17-18,20-23,25,31-32H,5-16,19,24,26H2,1-4H3;1H/q+1;/p-1