4-[(2-methoxyethanoylamino)-methyl-(phenylmethyl)azaniumyl]benzoate

Systemtic Name: 4-[(2-methoxyethanoylamino)-methyl-(phenylmethyl)azaniumyl]benzoate Openeye Name: 4-[benzyl-[(2-methoxyacetyl)amino]-methyl-ammonio]benzoate CAS Name: 4-[[(2-methoxy-1-oxoethyl)amino]-methyl-(phenylmethyl)ammonio]benzoate IUPAC Name: 4-[benzyl-[(2-methoxyacetyl)amino]-methylazaniumyl]benzoate Traditional Name: 4-[benzyl-[(2-methoxyacetyl)amino]-methyl-ammonio]benzoate Formula: C18H20N2O4 MolecularWeight: 328.3624

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](CC1=CC=CC=C1)(C2=CC=C(C=C2)C(=O)[O-])NC(=O)COC

Isomeric SMILES

C[N+](CC1=CC=CC=C1)(C2=CC=C(C=C2)C(=O)[O-])NC(=O)COC

InChI

InChI=1S/C18H20N2O4/c1-20(19-17(21)13-24-2,12-14-6-4-3-5-7-14)16-10-8-15(9-11-16)18(22)23/h3-11H,12-13H2,1-2H3,(H-,19,21,22,23)