3-[(3S)-1-[(2-chloranyl-4,5-dimethoxy-phenyl)methyl]piperidin-1-ium-3-yl]-1-morpholin-4-yl-propan-1-one

Systemtic Name: 3-[(3S)-1-[(2-chloranyl-4,5-dimethoxy-phenyl)methyl]piperidin-1-ium-3-yl]-1-morpholin-4-yl-propan-1-one Openeye Name: 3-[(3S)-1-[(2-chloro-4,5-dimethoxy-phenyl)methyl]piperidin-1-ium-3-yl]-1-morpholino-propan-1-one CAS Name: 3-[(3S)-1-[(2-chloro-4,5-dimethoxyphenyl)methyl]-3-piperidin-1-iumyl]-1-(4-morpholinyl)-1-propanone IUPAC Name: 3-[(3S)-1-[(2-chloro-4,5-dimethoxyphenyl)methyl]piperidin-1-ium-3-yl]-1-morpholin-4-ylpropan-1-one Traditional Name: 3-[(3S)-1-(2-chloro-4,5-dimethoxy-benzyl)piperidin-1-ium-3-yl]-1-morpholino-propan-1-one Formula: C21H32ClN2O4+ MolecularWeight: 411.94278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C[NH+]2CCCC(C2)CCC(=O)N3CCOCC3)Cl)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C[NH+]2CCC[C@H](C2)CCC(=O)N3CCOCC3)Cl)OC

InChI

InChI=1S/C21H31ClN2O4/c1-26-19-12-17(18(22)13-20(19)27-2)15-23-7-3-4-16(14-23)5-6-21(25)24-8-10-28-11-9-24/h12-13,16H,3-11,14-15H2,1-2H3/p+1/t16-/m0/s1