(2-ethoxycarbonylphenyl)-(2-ethoxyethanoylamino)-methyl-[(E)-prop-1-enyl]azanium

Systemtic Name: (2-ethoxycarbonylphenyl)-(2-ethoxyethanoylamino)-methyl-[(E)-prop-1-enyl]azanium Openeye Name: [(2-ethoxyacetyl)amino]-(2-ethoxycarbonylphenyl)-methyl-[(E)-prop-1-enyl]ammonium CAS Name: (2-ethoxycarbonylphenyl)-[(2-ethoxy-1-oxoethyl)amino]-methyl-[(E)-prop-1-enyl]ammonium IUPAC Name: [(2-ethoxyacetyl)amino]-(2-ethoxycarbonylphenyl)-methyl-[(E)-prop-1-enyl]azanium Traditional Name: (2-carbethoxyphenyl)-[(2-ethoxyacetyl)amino]-methyl-[(E)-prop-1-enyl]ammonium Formula: C17H25N2O4+ MolecularWeight: 321.3914

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC(=O)N[N+](C)(C=CC)C1=CC=CC=C1C(=O)OCC

Isomeric SMILES

CCOCC(=O)N[N+](C)(/C=C/C)C1=CC=CC=C1C(=O)OCC

InChI

InChI=1S/C17H24N2O4/c1-5-12-19(4,18-16(20)13-22-6-2)15-11-9-8-10-14(15)17(21)23-7-3/h5,8-12H,6-7,13H2,1-4H3/p+1/b12-5+