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

Systemtic Name: N-[(3-methoxy-2-tetradecoxy-phenyl)methyl]-1-(1-methylpyridin-1-ium-2-yl)-1-methylsulfonyl-methanamine iodide Openeye Name: N-[(3-methoxy-2-tetradecoxy-phenyl)methyl]-1-(1-methylpyridin-1-ium-2-yl)-1-methylsulfonyl-methanamine iodide CAS Name: N-[(3-methoxy-2-tetradecoxyphenyl)methyl]-1-(1-methyl-2-pyridin-1-iumyl)-1-methylsulfonylmethanamine iodide IUPAC Name: N-[(3-methoxy-2-tetradecoxyphenyl)methyl]-1-(1-methylpyridin-1-ium-2-yl)-1-methylsulfonylmethanamine iodide Traditional Name: [mesyl-(1-methylpyridin-1-ium-2-yl)methyl]-(3-methoxy-2-myristyloxy-benzyl)amine iodide Formula: C30H49IN2O4S MolecularWeight: 660.69053

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=CC=C1OC)CNC(C2=CC=CC=[N+]2C)S(=O)(=O)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=CC=C1OC)CNC(C2=CC=CC=[N+]2C)S(=O)(=O)C.[I-]

InChI

InChI=1S/C30H49N2O4S.HI/c1-5-6-7-8-9-10-11-12-13-14-15-18-24-36-29-26(20-19-22-28(29)35-3)25-31-30(37(4,33)34)27-21-16-17-23-32(27)2;/h16-17,19-23,30-31H,5-15,18,24-25H2,1-4H3;1H/q+1;/p-1