4-[[4-methoxy-3-[(E)-2-nitroprop-1-enyl]phenyl]methyl]-4-tetradecyl-morpholin-4-ium chloride

Systemtic Name: 4-[[4-methoxy-3-[(E)-2-nitroprop-1-enyl]phenyl]methyl]-4-tetradecyl-morpholin-4-ium chloride Openeye Name: 4-[[4-methoxy-3-[(E)-2-nitroprop-1-enyl]phenyl]methyl]-4-tetradecyl-morpholin-4-ium chloride CAS Name: 4-[[4-methoxy-3-[(E)-2-nitroprop-1-enyl]phenyl]methyl]-4-tetradecylmorpholin-4-ium chloride IUPAC Name: 4-[[4-methoxy-3-[(E)-2-nitroprop-1-enyl]phenyl]methyl]-4-tetradecylmorpholin-4-ium chloride Traditional Name: 4-[4-methoxy-3-[(E)-2-nitroprop-1-enyl]benzyl]-4-myristyl-morpholin-4-ium chloride Formula: C29H49ClN2O4 MolecularWeight: 525.16336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC[N+]1(CCOCC1)CC2=CC(=C(C=C2)OC)C=C(C)[N+](=O)[O-].[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCC[N+]1(CCOCC1)CC2=CC(=C(C=C2)OC)/C=C(\C)/[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C29H49N2O4.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-31(19-21-35-22-20-31)25-27-16-17-29(34-3)28(24-27)23-26(2)30(32)33;/h16-17,23-24H,4-15,18-22,25H2,1-3H3;1H/q+1;/p-1/b26-23+;