(2-ethoxyethanoylamino)-(4-methoxycarbonylphenyl)-methyl-[(E)-3-phenylprop-2-enoyl]azanium

Systemtic Name: (2-ethoxyethanoylamino)-(4-methoxycarbonylphenyl)-methyl-[(E)-3-phenylprop-2-enoyl]azanium Openeye Name: [(2-ethoxyacetyl)amino]-(4-methoxycarbonylphenyl)-methyl-[(E)-3-phenylprop-2-enoyl]ammonium CAS Name: [(2-ethoxy-1-oxoethyl)amino]-(4-methoxycarbonylphenyl)-methyl-[(E)-1-oxo-3-phenylprop-2-enyl]ammonium IUPAC Name: [(2-ethoxyacetyl)amino]-(4-methoxycarbonylphenyl)-methyl-[(E)-3-phenylprop-2-enoyl]azanium Traditional Name: (4-carbomethoxyphenyl)-[(2-ethoxyacetyl)amino]-methyl-[(E)-3-phenylacryloyl]ammonium Formula: C22H25N2O5+ MolecularWeight: 397.4443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCC(=O)N[N+](C)(C1=CC=C(C=C1)C(=O)OC)C(=O)C=CC2=CC=CC=C2

Isomeric SMILES

CCOCC(=O)N[N+](C)(C1=CC=C(C=C1)C(=O)OC)C(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C22H24N2O5/c1-4-29-16-20(25)23-24(2,19-13-11-18(12-14-19)22(27)28-3)21(26)15-10-17-8-6-5-7-9-17/h5-15H,4,16H2,1-3H3/p+1/b15-10+