4-[[(2-methoxynaphthalen-1-yl)methylazaniumyl]methyl]benzoate

Systemtic Name: 4-[[(2-methoxynaphthalen-1-yl)methylazaniumyl]methyl]benzoate Openeye Name: 4-[[(2-methoxy-1-naphthyl)methylammonio]methyl]benzoate CAS Name: 4-[[(2-methoxy-1-naphthalenyl)methylammonio]methyl]benzoate IUPAC Name: 4-[[(2-methoxynaphthalen-1-yl)methylazaniumyl]methyl]benzoate Traditional Name: 4-[[(2-methoxy-1-naphthyl)methylammonio]methyl]benzoate Formula: C20H19NO3 MolecularWeight: 321.36976

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=CC=CC=C2C=C1)C[NH2+]CC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

COC1=C(C2=CC=CC=C2C=C1)C[NH2+]CC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C20H19NO3/c1-24-19-11-10-15-4-2-3-5-17(15)18(19)13-21-12-14-6-8-16(9-7-14)20(22)23/h2-11,21H,12-13H2,1H3,(H,22,23)