4-[[(3-methoxy-4-prop-2-enoxy-phenyl)methylazaniumyl]methyl]benzoate

Systemtic Name: 4-[[(3-methoxy-4-prop-2-enoxy-phenyl)methylazaniumyl]methyl]benzoate Openeye Name: 4-[[(4-allyloxy-3-methoxy-phenyl)methylammonio]methyl]benzoate CAS Name: 4-[[(3-methoxy-4-prop-2-enoxyphenyl)methylammonio]methyl]benzoate IUPAC Name: 4-[[(3-methoxy-4-prop-2-enoxyphenyl)methylazaniumyl]methyl]benzoate Traditional Name: 4-[[(4-allyloxy-3-methoxy-benzyl)ammonio]methyl]benzoate Formula: C19H21NO4 MolecularWeight: 327.37434

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]CC2=CC=C(C=C2)C(=O)[O-])OCC=C

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CC2=CC=C(C=C2)C(=O)[O-])OCC=C

InChI

InChI=1S/C19H21NO4/c1-3-10-24-17-9-6-15(11-18(17)23-2)13-20-12-14-4-7-16(8-5-14)19(21)22/h3-9,11,20H,1,10,12-13H2,2H3,(H,21,22)