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

Systemtic Name: 1-methylsulfonyl-N-[(2-methyl-3-tetradecoxy-phenyl)methyl]-1-(1-propylpyridin-1-ium-2-yl)methanamine Openeye Name: 1-methylsulfonyl-N-[(2-methyl-3-tetradecoxy-phenyl)methyl]-1-(1-propylpyridin-1-ium-2-yl)methanamine CAS Name: 1-methylsulfonyl-N-[(2-methyl-3-tetradecoxyphenyl)methyl]-1-(1-propyl-2-pyridin-1-iumyl)methanamine IUPAC Name: 1-methylsulfonyl-N-[(2-methyl-3-tetradecoxyphenyl)methyl]-1-(1-propylpyridin-1-ium-2-yl)methanamine Traditional Name: [mesyl-(1-propylpyridin-1-ium-2-yl)methyl]-(2-methyl-3-myristyloxy-benzyl)amine Formula: C32H53N2O3S+ MolecularWeight: 545.83982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H53N2O3S/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/q+1