dodecyl-[[4-methoxy-3-[(E)-2-nitroprop-1-enyl]phenyl]methyl]-dimethyl-azanium chloride

Systemtic Name: dodecyl-[[4-methoxy-3-[(E)-2-nitroprop-1-enyl]phenyl]methyl]-dimethyl-azanium chloride Openeye Name: dodecyl-[[4-methoxy-3-[(E)-2-nitroprop-1-enyl]phenyl]methyl]-dimethyl-ammonium chloride CAS Name: dodecyl-[[4-methoxy-3-[(E)-2-nitroprop-1-enyl]phenyl]methyl]-dimethylammonium chloride IUPAC Name: dodecyl-[[4-methoxy-3-[(E)-2-nitroprop-1-enyl]phenyl]methyl]-dimethylazanium chloride Traditional Name: lauryl-[4-methoxy-3-[(E)-2-nitroprop-1-enyl]benzyl]-dimethyl-ammonium chloride Formula: C25H43ClN2O3 MolecularWeight: 455.07352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](C)(C)CC1=CC(=C(C=C1)OC)C=C(C)[N+](=O)[O-].[Cl-]

Isomeric SMILES

CCCCCCCCCCCC[N+](C)(C)CC1=CC(=C(C=C1)OC)/C=C(\C)/[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C25H43N2O3.ClH/c1-6-7-8-9-10-11-12-13-14-15-18-27(3,4)21-23-16-17-25(30-5)24(20-23)19-22(2)26(28)29;/h16-17,19-20H,6-15,18,21H2,1-5H3;1H/q+1;/p-1/b22-19+;