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

Systemtic Name: 1-methylsulfonyl-N-[(2-methyl-3-tetradecoxy-phenyl)methyl]-1-(1-propylpyridin-1-ium-2-yl)methanamine iodide Openeye Name: 1-methylsulfonyl-N-[(2-methyl-3-tetradecoxy-phenyl)methyl]-1-(1-propylpyridin-1-ium-2-yl)methanamine iodide CAS Name: 1-methylsulfonyl-N-[(2-methyl-3-tetradecoxyphenyl)methyl]-1-(1-propyl-2-pyridin-1-iumyl)methanamine iodide IUPAC Name: 1-methylsulfonyl-N-[(2-methyl-3-tetradecoxyphenyl)methyl]-1-(1-propylpyridin-1-ium-2-yl)methanamine iodide Traditional Name: [mesyl-(1-propylpyridin-1-ium-2-yl)methyl]-(2-methyl-3-myristyloxy-benzyl)amine iodide Formula: C32H53IN2O3S MolecularWeight: 672.74429

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC=CC(=C1C)CNC(C2=CC=CC=[N+]2CCC)S(=O)(=O)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC=CC(=C1C)CNC(C2=CC=CC=[N+]2CCC)S(=O)(=O)C.[I-]

InChI

InChI=1S/C32H53N2O3S.HI/c1-5-7-8-9-10-11-12-13-14-15-16-19-26-37-31-23-20-21-29(28(31)3)27-33-32(38(4,35)36)30-22-17-18-25-34(30)24-6-2;/h17-18,20-23,25,32-33H,5-16,19,24,26-27H2,1-4H3;1H/q+1;/p-1