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

Systemtic Name: 4-[[[4-(2-hydroxyethyloxy)-3-methoxy-phenyl]methylazaniumyl]methyl]benzoate Openeye Name: 4-[[[4-(2-hydroxyethoxy)-3-methoxy-phenyl]methylammonio]methyl]benzoate CAS Name: 4-[[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methylammonio]methyl]benzoate IUPAC Name: 4-[[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methylazaniumyl]methyl]benzoate Traditional Name: 4-[[[4-(2-hydroxyethoxy)-3-methoxy-benzyl]ammonio]methyl]benzoate Formula: C18H21NO5 MolecularWeight: 331.36304

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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-])OCCO

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO5/c1-23-17-10-14(4-7-16(17)24-9-8-20)12-19-11-13-2-5-15(6-3-13)18(21)22/h2-7,10,19-20H,8-9,11-12H2,1H3,(H,21,22)