1-[(3-tert-butyl-4-dodecoxy-phenyl)methylamino]-1-(1-ethylpyridin-1-ium-3-yl)propan-2-one iodide

Systemtic Name: 1-[(3-tert-butyl-4-dodecoxy-phenyl)methylamino]-1-(1-ethylpyridin-1-ium-3-yl)propan-2-one iodide Openeye Name: 1-[(3-tert-butyl-4-dodecoxy-phenyl)methylamino]-1-(1-ethylpyridin-1-ium-3-yl)propan-2-one iodide CAS Name: 1-[(3-tert-butyl-4-dodecoxyphenyl)methylamino]-1-(1-ethyl-3-pyridin-1-iumyl)-2-propanone iodide IUPAC Name: 1-[(3-tert-butyl-4-dodecoxyphenyl)methylamino]-1-(1-ethylpyridin-1-ium-3-yl)propan-2-one iodide Traditional Name: 1-[(3-tert-butyl-4-lauryloxy-benzyl)amino]-1-(1-ethylpyridin-1-ium-3-yl)acetone iodide Formula: C33H53IN2O2 MolecularWeight: 636.69059

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)CNC(C2=C[N+](=CC=C2)CC)C(=O)C)C(C)(C)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)CNC(C2=C[N+](=CC=C2)CC)C(=O)C)C(C)(C)C.[I-]

InChI

InChI=1S/C33H53N2O2.HI/c1-7-9-10-11-12-13-14-15-16-17-23-37-31-21-20-28(24-30(31)33(4,5)6)25-34-32(27(3)36)29-19-18-22-35(8-2)26-29;/h18-22,24,26,32,34H,7-17,23,25H2,1-6H3;1H/q+1;/p-1