N-[(1-methylpyridin-1-ium-2-yl)methyl]-1-methylsulfonyl-1-(3-tetradecoxyphenyl)methanamine iodide

Systemtic Name: N-[(1-methylpyridin-1-ium-2-yl)methyl]-1-methylsulfonyl-1-(3-tetradecoxyphenyl)methanamine iodide Openeye Name: N-[(1-methylpyridin-1-ium-2-yl)methyl]-1-methylsulfonyl-1-(3-tetradecoxyphenyl)methanamine iodide CAS Name: N-[(1-methyl-2-pyridin-1-iumyl)methyl]-1-methylsulfonyl-1-(3-tetradecoxyphenyl)methanamine iodide IUPAC Name: N-[(1-methylpyridin-1-ium-2-yl)methyl]-1-methylsulfonyl-1-(3-tetradecoxyphenyl)methanamine iodide Traditional Name: [mesyl-(3-myristyloxyphenyl)methyl]-[(1-methylpyridin-1-ium-2-yl)methyl]amine iodide Formula: C29H47IN2O3S MolecularWeight: 630.66455

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC=CC(=C1)C(NCC2=CC=CC=[N+]2C)S(=O)(=O)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC=CC(=C1)C(NCC2=CC=CC=[N+]2C)S(=O)(=O)C.[I-]

InChI

InChI=1S/C29H47N2O3S.HI/c1-4-5-6-7-8-9-10-11-12-13-14-17-23-34-28-21-18-19-26(24-28)29(35(3,32)33)30-25-27-20-15-16-22-31(27)2;/h15-16,18-22,24,29-30H,4-14,17,23,25H2,1-3H3;1H/q+1;/p-1