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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31ClN2O4/c1-26-19-14-17(13-18(22)21(19)27-2)15-23-7-5-16(6-8-23)3-4-20(25)24-9-11-28-12-10-24/h13-14,16H,3-12,15H2,1-2H3/p+1