(3R,4R)-1-[(2-chloranyl-4,5-dimethoxy-phenyl)methyl]-4-morpholin-4-yl-piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-1-[(2-chloranyl-4,5-dimethoxy-phenyl)methyl]-4-morpholin-4-yl-piperidin-1-ium-3-ol Openeye Name: (3R,4R)-1-[(2-chloro-4,5-dimethoxy-phenyl)methyl]-4-morpholino-piperidin-1-ium-3-ol CAS Name: (3R,4R)-1-[(2-chloro-4,5-dimethoxyphenyl)methyl]-4-(4-morpholinyl)-3-piperidin-1-iumol IUPAC Name: (3R,4R)-1-[(2-chloro-4,5-dimethoxyphenyl)methyl]-4-morpholin-4-ylpiperidin-1-ium-3-ol Traditional Name: (3R,4R)-1-(2-chloro-4,5-dimethoxy-benzyl)-4-morpholino-piperidin-1-ium-3-ol Formula: C18H28ClN2O4+ MolecularWeight: 371.87892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27ClN2O4/c1-23-17-9-13(14(19)10-18(17)24-2)11-20-4-3-15(16(22)12-20)21-5-7-25-8-6-21/h9-10,15-16,22H,3-8,11-12H2,1-2H3/p+1/t15-,16-/m1/s1