trimethyl-[2-octoxy-4-oxidanylidene-4-[(3,5,6-trimethylpyrazin-2-yl)methoxy]butyl]azanium chloride

Systemtic Name: trimethyl-[2-octoxy-4-oxidanylidene-4-[(3,5,6-trimethylpyrazin-2-yl)methoxy]butyl]azanium chloride Openeye Name: trimethyl-[2-octoxy-4-oxo-4-[(3,5,6-trimethylpyrazin-2-yl)methoxy]butyl]ammonium chloride CAS Name: trimethyl-[2-octoxy-4-oxo-4-[(3,5,6-trimethyl-2-pyrazinyl)methoxy]butyl]ammonium chloride IUPAC Name: trimethyl-[2-octoxy-4-oxo-4-[(3,5,6-trimethylpyrazin-2-yl)methoxy]butyl]azanium chloride Traditional Name: [4-keto-2-octoxy-4-[(3,5,6-trimethylpyrazin-2-yl)methoxy]butyl]-trimethyl-ammonium chloride Formula: C23H42ClN3O3 MolecularWeight: 444.05088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(CC(=O)OCC1=NC(=C(N=C1C)C)C)C[N+](C)(C)C.[Cl-]

Isomeric SMILES

CCCCCCCCOC(CC(=O)OCC1=NC(=C(N=C1C)C)C)C[N+](C)(C)C.[Cl-]

InChI

InChI=1S/C23H42N3O3.ClH/c1-8-9-10-11-12-13-14-28-21(16-26(5,6)7)15-23(27)29-17-22-20(4)24-18(2)19(3)25-22;/h21H,8-17H2,1-7H3;1H/q+1;/p-1