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

Systemtic Name: 1-[(4-dodecoxy-3-methoxy-phenyl)methylamino]-1-(1-ethylpyridin-1-ium-3-yl)propan-2-one iodide Openeye Name: 1-[(4-dodecoxy-3-methoxy-phenyl)methylamino]-1-(1-ethylpyridin-1-ium-3-yl)propan-2-one iodide CAS Name: 1-[(4-dodecoxy-3-methoxyphenyl)methylamino]-1-(1-ethyl-3-pyridin-1-iumyl)-2-propanone iodide IUPAC Name: 1-[(4-dodecoxy-3-methoxyphenyl)methylamino]-1-(1-ethylpyridin-1-ium-3-yl)propan-2-one iodide Traditional Name: 1-(1-ethylpyridin-1-ium-3-yl)-1-[(4-lauryloxy-3-methoxy-benzyl)amino]acetone iodide Formula: C30H47IN2O3 MolecularWeight: 610.61025

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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)OC.[I-]

Isomeric SMILES

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

InChI

InChI=1S/C30H47N2O3.HI/c1-5-7-8-9-10-11-12-13-14-15-21-35-28-19-18-26(22-29(28)34-4)23-31-30(25(3)33)27-17-16-20-32(6-2)24-27;/h16-20,22,24,30-31H,5-15,21,23H2,1-4H3;1H/q+1;/p-1