4-[[[4-[(6-chloranylpyridin-3-yl)methoxy]-3-methoxy-phenyl]methylazaniumyl]methyl]benzoate

Systemtic Name: 4-[[[4-[(6-chloranylpyridin-3-yl)methoxy]-3-methoxy-phenyl]methylazaniumyl]methyl]benzoate Openeye Name: 4-[[[4-[(6-chloro-3-pyridyl)methoxy]-3-methoxy-phenyl]methylammonio]methyl]benzoate CAS Name: 4-[[[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methylammonio]methyl]benzoate IUPAC Name: 4-[[[4-[(6-chloropyridin-3-yl)methoxy]-3-methoxyphenyl]methylazaniumyl]methyl]benzoate Traditional Name: 4-[[[4-[(6-chloro-3-pyridyl)methoxy]-3-methoxy-benzyl]ammonio]methyl]benzoate Formula: C22H21ClN2O4 MolecularWeight: 412.86614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]CC2=CC=C(C=C2)C(=O)[O-])OCC3=CN=C(C=C3)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CC2=CC=C(C=C2)C(=O)[O-])OCC3=CN=C(C=C3)Cl

InChI

InChI=1S/C22H21ClN2O4/c1-28-20-10-16(12-24-11-15-2-6-18(7-3-15)22(26)27)4-8-19(20)29-14-17-5-9-21(23)25-13-17/h2-10,13,24H,11-12,14H2,1H3,(H,26,27)