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

Systemtic Name: 1-(1-methylpyridin-1-ium-2-yl)-1-methylsulfonyl-N-[(2-methyl-3-tetradecoxy-phenyl)methyl]methanamine iodide Openeye Name: 1-(1-methylpyridin-1-ium-2-yl)-1-methylsulfonyl-N-[(2-methyl-3-tetradecoxy-phenyl)methyl]methanamine iodide CAS Name: 1-(1-methyl-2-pyridin-1-iumyl)-1-methylsulfonyl-N-[(2-methyl-3-tetradecoxyphenyl)methyl]methanamine iodide IUPAC Name: 1-(1-methylpyridin-1-ium-2-yl)-1-methylsulfonyl-N-[(2-methyl-3-tetradecoxyphenyl)methyl]methanamine iodide Traditional Name: [mesyl-(1-methylpyridin-1-ium-2-yl)methyl]-(2-methyl-3-myristyloxy-benzyl)amine iodide Formula: C30H49IN2O3S MolecularWeight: 644.69113

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H49N2O3S.HI/c1-5-6-7-8-9-10-11-12-13-14-15-18-24-35-29-22-19-20-27(26(29)2)25-31-30(36(4,33)34)28-21-16-17-23-32(28)3;/h16-17,19-23,30-31H,5-15,18,24-25H2,1-4H3;1H/q+1;/p-1