N-[(4-hexadecoxy-2-methyl-phenyl)methyl]-1-(1-methylpyridin-1-ium-2-yl)-1-methylsulfonyl-methanamine iodide

Systemtic Name: N-[(4-hexadecoxy-2-methyl-phenyl)methyl]-1-(1-methylpyridin-1-ium-2-yl)-1-methylsulfonyl-methanamine iodide Openeye Name: N-[(4-hexadecoxy-2-methyl-phenyl)methyl]-1-(1-methylpyridin-1-ium-2-yl)-1-methylsulfonyl-methanamine iodide CAS Name: N-[(4-hexadecoxy-2-methylphenyl)methyl]-1-(1-methyl-2-pyridin-1-iumyl)-1-methylsulfonylmethanamine iodide IUPAC Name: N-[(4-hexadecoxy-2-methylphenyl)methyl]-1-(1-methylpyridin-1-ium-2-yl)-1-methylsulfonylmethanamine iodide Traditional Name: (4-cetyloxy-2-methyl-benzyl)-[mesyl-(1-methylpyridin-1-ium-2-yl)methyl]amine iodide Formula: C32H53IN2O3S MolecularWeight: 672.74429

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)CNC(C2=CC=CC=[N+]2C)S(=O)(=O)C)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)CNC(C2=CC=CC=[N+]2C)S(=O)(=O)C)C.[I-]

InChI

InChI=1S/C32H53N2O3S.HI/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-25-37-30-23-22-29(28(2)26-30)27-33-32(38(4,35)36)31-21-18-19-24-34(31)3;/h18-19,21-24,26,32-33H,5-17,20,25,27H2,1-4H3;1H/q+1;/p-1