(4-ethoxycarbonylphenyl)-methyl-[methyl(2-phenylmethoxyethanoyl)amino]-(phenylmethyl)azanium

Systemtic Name: (4-ethoxycarbonylphenyl)-methyl-[methyl(2-phenylmethoxyethanoyl)amino]-(phenylmethyl)azanium Openeye Name: benzyl-[(2-benzyloxyacetyl)-methyl-amino]-(4-ethoxycarbonylphenyl)-methyl-ammonium CAS Name: (4-ethoxycarbonylphenyl)-methyl-[methyl-(1-oxo-2-phenylmethoxyethyl)amino]-(phenylmethyl)ammonium IUPAC Name: benzyl-(4-ethoxycarbonylphenyl)-methyl-[methyl-(2-phenylmethoxyacetyl)amino]azanium Traditional Name: [(2-benzoxyacetyl)-methyl-amino]-benzyl-(4-carbethoxyphenyl)-methyl-ammonium Formula: C27H31N2O4+ MolecularWeight: 447.54604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)[N+](C)(CC2=CC=CC=C2)N(C)C(=O)COCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)[N+](C)(CC2=CC=CC=C2)N(C)C(=O)COCC3=CC=CC=C3

InChI

InChI=1S/C27H31N2O4/c1-4-33-27(31)24-15-17-25(18-16-24)29(3,19-22-11-7-5-8-12-22)28(2)26(30)21-32-20-23-13-9-6-10-14-23/h5-18H,4,19-21H2,1-3H3/q+1