1-[(3-tert-butyl-2-tetradecoxy-phenyl)methylamino]-1-(1-propylpyridin-1-ium-3-yl)propan-2-one

Systemtic Name: 1-[(3-tert-butyl-2-tetradecoxy-phenyl)methylamino]-1-(1-propylpyridin-1-ium-3-yl)propan-2-one Openeye Name: 1-[(3-tert-butyl-2-tetradecoxy-phenyl)methylamino]-1-(1-propylpyridin-1-ium-3-yl)propan-2-one CAS Name: 1-[(3-tert-butyl-2-tetradecoxyphenyl)methylamino]-1-(1-propyl-3-pyridin-1-iumyl)-2-propanone IUPAC Name: 1-[(3-tert-butyl-2-tetradecoxyphenyl)methylamino]-1-(1-propylpyridin-1-ium-3-yl)propan-2-one Traditional Name: 1-[(3-tert-butyl-2-myristyloxy-benzyl)amino]-1-(1-propylpyridin-1-ium-3-yl)acetone Formula: C36H59N2O2+ MolecularWeight: 551.86586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H59N2O2/c1-7-9-10-11-12-13-14-15-16-17-18-19-27-40-35-31(22-20-24-33(35)36(4,5)6)28-37-34(30(3)39)32-23-21-26-38(29-32)25-8-2/h20-24,26,29,34,37H,7-19,25,27-28H2,1-6H3/q+1