4-[[(4-prop-2-enoxyphenyl)methylazaniumyl]methyl]benzoate

Systemtic Name: 4-[[(4-prop-2-enoxyphenyl)methylazaniumyl]methyl]benzoate Openeye Name: 4-[[(4-allyloxyphenyl)methylammonio]methyl]benzoate CAS Name: 4-[[(4-prop-2-enoxyphenyl)methylammonio]methyl]benzoate IUPAC Name: 4-[[(4-prop-2-enoxyphenyl)methylazaniumyl]methyl]benzoate Traditional Name: 4-[[(4-allyloxybenzyl)ammonio]methyl]benzoate Formula: C18H19NO3 MolecularWeight: 297.34836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO3/c1-2-11-22-17-9-5-15(6-10-17)13-19-12-14-3-7-16(8-4-14)18(20)21/h2-10,19H,1,11-13H2,(H,20,21)