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

Systemtic Name: 1-[(3-tert-butyl-2-tetradecoxy-phenyl)methylamino]-1-(1-methylpyridin-1-ium-3-yl)propan-2-one iodide Openeye Name: 1-[(3-tert-butyl-2-tetradecoxy-phenyl)methylamino]-1-(1-methylpyridin-1-ium-3-yl)propan-2-one iodide CAS Name: 1-[(3-tert-butyl-2-tetradecoxyphenyl)methylamino]-1-(1-methyl-3-pyridin-1-iumyl)-2-propanone iodide IUPAC Name: 1-[(3-tert-butyl-2-tetradecoxyphenyl)methylamino]-1-(1-methylpyridin-1-ium-3-yl)propan-2-one iodide Traditional Name: 1-[(3-tert-butyl-2-myristyloxy-benzyl)amino]-1-(1-methylpyridin-1-ium-3-yl)acetone iodide Formula: C34H55IN2O2 MolecularWeight: 650.71717

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H55N2O2.HI/c1-7-8-9-10-11-12-13-14-15-16-17-18-25-38-33-29(21-19-23-31(33)34(3,4)5)26-35-32(28(2)37)30-22-20-24-36(6)27-30;/h19-24,27,32,35H,7-18,25-26H2,1-6H3;1H/q+1;/p-1