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

Systemtic Name: 4-[[(2-ethoxynaphthalen-1-yl)methylazaniumyl]methyl]benzoate Openeye Name: 4-[[(2-ethoxy-1-naphthyl)methylammonio]methyl]benzoate CAS Name: 4-[[(2-ethoxy-1-naphthalenyl)methylammonio]methyl]benzoate IUPAC Name: 4-[[(2-ethoxynaphthalen-1-yl)methylazaniumyl]methyl]benzoate Traditional Name: 4-[[(2-ethoxy-1-naphthyl)methylammonio]methyl]benzoate Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C2=CC=CC=C2C=C1)C[NH2+]CC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

CCOC1=C(C2=CC=CC=C2C=C1)C[NH2+]CC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C21H21NO3/c1-2-25-20-12-11-16-5-3-4-6-18(16)19(20)14-22-13-15-7-9-17(10-8-15)21(23)24/h3-12,22H,2,13-14H2,1H3,(H,23,24)