4-[[[4-(2-hydroxyethyloxy)phenyl]methylazaniumyl]methyl]benzoate

Systemtic Name: 4-[[[4-(2-hydroxyethyloxy)phenyl]methylazaniumyl]methyl]benzoate Openeye Name: 4-[[[4-(2-hydroxyethoxy)phenyl]methylammonio]methyl]benzoate CAS Name: 4-[[[4-(2-hydroxyethoxy)phenyl]methylammonio]methyl]benzoate IUPAC Name: 4-[[[4-(2-hydroxyethoxy)phenyl]methylazaniumyl]methyl]benzoate Traditional Name: 4-[[[4-(2-hydroxyethoxy)benzyl]ammonio]methyl]benzoate Formula: C17H19NO4 MolecularWeight: 301.33706

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C[NH2+]CC2=CC=C(C=C2)OCCO)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C[NH2+]CC2=CC=C(C=C2)OCCO)C(=O)[O-]

InChI

InChI=1S/C17H19NO4/c19-9-10-22-16-7-3-14(4-8-16)12-18-11-13-1-5-15(6-2-13)17(20)21/h1-8,18-19H,9-12H2,(H,20,21)