4-[[(4-ethoxy-3-methoxy-phenyl)methylazaniumyl]methyl]benzoate

Systemtic Name: 4-[[(4-ethoxy-3-methoxy-phenyl)methylazaniumyl]methyl]benzoate Openeye Name: 4-[[(4-ethoxy-3-methoxy-phenyl)methylammonio]methyl]benzoate CAS Name: 4-[[(4-ethoxy-3-methoxyphenyl)methylammonio]methyl]benzoate IUPAC Name: 4-[[(4-ethoxy-3-methoxyphenyl)methylazaniumyl]methyl]benzoate Traditional Name: 4-[[(4-ethoxy-3-methoxy-benzyl)ammonio]methyl]benzoate Formula: C18H21NO4 MolecularWeight: 315.36364

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C[NH2+]CC2=CC=C(C=C2)C(=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C[NH2+]CC2=CC=C(C=C2)C(=O)[O-])OC

InChI

InChI=1S/C18H21NO4/c1-3-23-16-9-6-14(10-17(16)22-2)12-19-11-13-4-7-15(8-5-13)18(20)21/h4-10,19H,3,11-12H2,1-2H3,(H,20,21)