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

Systemtic Name: N-[(3-tert-butyl-2-tetradecoxy-phenyl)methyl]-1-methylsulfonyl-1-(1-propylpyridin-1-ium-2-yl)methanamine Openeye Name: N-[(3-tert-butyl-2-tetradecoxy-phenyl)methyl]-1-methylsulfonyl-1-(1-propylpyridin-1-ium-2-yl)methanamine CAS Name: N-[(3-tert-butyl-2-tetradecoxyphenyl)methyl]-1-methylsulfonyl-1-(1-propyl-2-pyridin-1-iumyl)methanamine IUPAC Name: N-[(3-tert-butyl-2-tetradecoxyphenyl)methyl]-1-methylsulfonyl-1-(1-propylpyridin-1-ium-2-yl)methanamine Traditional Name: (3-tert-butyl-2-myristyloxy-benzyl)-[mesyl-(1-propylpyridin-1-ium-2-yl)methyl]amine Formula: C35H59N2O3S+ MolecularWeight: 587.91956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H59N2O3S/c1-7-9-10-11-12-13-14-15-16-17-18-21-28-40-33-30(23-22-24-31(33)35(3,4)5)29-36-34(41(6,38)39)32-25-19-20-27-37(32)26-8-2/h19-20,22-25,27,34,36H,7-18,21,26,28-29H2,1-6H3/q+1