dodecyl-ethyl-(2-hydroxyethyl)-[[2-methoxy-5-[(E)-2-nitroprop-1-enyl]phenyl]methyl]azanium

Systemtic Name: dodecyl-ethyl-(2-hydroxyethyl)-[[2-methoxy-5-[(E)-2-nitroprop-1-enyl]phenyl]methyl]azanium Openeye Name: dodecyl-ethyl-(2-hydroxyethyl)-[[2-methoxy-5-[(E)-2-nitroprop-1-enyl]phenyl]methyl]ammonium CAS Name: dodecyl-ethyl-(2-hydroxyethyl)-[[2-methoxy-5-[(E)-2-nitroprop-1-enyl]phenyl]methyl]ammonium IUPAC Name: dodecyl-ethyl-(2-hydroxyethyl)-[[2-methoxy-5-[(E)-2-nitroprop-1-enyl]phenyl]methyl]azanium Traditional Name: ethyl-(2-hydroxyethyl)-lauryl-[2-methoxy-5-[(E)-2-nitroprop-1-enyl]benzyl]ammonium Formula: C27H47N2O4+ MolecularWeight: 463.67308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H47N2O4/c1-5-7-8-9-10-11-12-13-14-15-18-29(6-2,19-20-30)23-26-22-25(16-17-27(26)33-4)21-24(3)28(31)32/h16-17,21-22,30H,5-15,18-20,23H2,1-4H3/q+1/b24-21+