3-[1-[(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]-1-morpholin-4-yl-propan-1-one

Systemtic Name: 3-[1-[(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]-1-morpholin-4-yl-propan-1-one Openeye Name: 3-[1-[(3-chloro-4-hydroxy-5-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]-1-morpholino-propan-1-one CAS Name: 3-[1-[(3-chloro-4-hydroxy-5-methoxyphenyl)methyl]-4-piperidin-1-iumyl]-1-(4-morpholinyl)-1-propanone IUPAC Name: 3-[1-[(3-chloro-4-hydroxy-5-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-1-morpholin-4-ylpropan-1-one Traditional Name: 3-[1-(3-chloro-4-hydroxy-5-methoxy-benzyl)piperidin-1-ium-4-yl]-1-morpholino-propan-1-one Formula: C20H30ClN2O4+ MolecularWeight: 397.9162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH+]2CCC(CC2)CCC(=O)N3CCOCC3)Cl)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH+]2CCC(CC2)CCC(=O)N3CCOCC3)Cl)O

InChI

InChI=1S/C20H29ClN2O4/c1-26-18-13-16(12-17(21)20(18)25)14-22-6-4-15(5-7-22)2-3-19(24)23-8-10-27-11-9-23/h12-13,15,25H,2-11,14H2,1H3/p+1