(3-chloranyl-5-methoxy-4-phenylmethoxy-phenyl)methyl-(3-morpholin-4-ium-4-ylpropyl)azanium

Systemtic Name: (3-chloranyl-5-methoxy-4-phenylmethoxy-phenyl)methyl-(3-morpholin-4-ium-4-ylpropyl)azanium Openeye Name: (4-benzyloxy-3-chloro-5-methoxy-phenyl)methyl-(3-morpholin-4-ium-4-ylpropyl)ammonium CAS Name: (3-chloro-5-methoxy-4-phenylmethoxyphenyl)methyl-[3-(4-morpholin-4-iumyl)propyl]ammonium IUPAC Name: (3-chloro-5-methoxy-4-phenylmethoxyphenyl)methyl-(3-morpholin-4-ium-4-ylpropyl)azanium Traditional Name: (4-benzoxy-3-chloro-5-methoxy-benzyl)-(3-morpholin-4-ium-4-ylpropyl)ammonium Formula: C22H31ClN2O3+2 MolecularWeight: 406.94614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]CCC[NH+]2CCOCC2)Cl)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]CCC[NH+]2CCOCC2)Cl)OCC3=CC=CC=C3

InChI

InChI=1S/C22H29ClN2O3/c1-26-21-15-19(16-24-8-5-9-25-10-12-27-13-11-25)14-20(23)22(21)28-17-18-6-3-2-4-7-18/h2-4,6-7,14-15,24H,5,8-13,16-17H2,1H3/p+2