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

Systemtic Name: (3R,4R)-1-[(3-chloranyl-4,5-dimethoxy-phenyl)methyl]-4-morpholin-4-ium-4-yl-piperidin-1-ium-3-ol Openeye Name: (3R,4R)-1-[(3-chloro-4,5-dimethoxy-phenyl)methyl]-4-morpholin-4-ium-4-yl-piperidin-1-ium-3-ol CAS Name: (3R,4R)-1-[(3-chloro-4,5-dimethoxyphenyl)methyl]-4-(4-morpholin-4-iumyl)-3-piperidin-1-iumol IUPAC Name: (3R,4R)-1-[(3-chloro-4,5-dimethoxyphenyl)methyl]-4-morpholin-4-ium-4-ylpiperidin-1-ium-3-ol Traditional Name: (3R,4R)-1-(3-chloro-4,5-dimethoxy-benzyl)-4-morpholin-4-ium-4-yl-piperidin-1-ium-3-ol Formula: C18H29ClN2O4+2 MolecularWeight: 372.88686

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH+]2CCC(C(C2)O)[NH+]3CCOCC3)Cl)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH+]2CC[C@H]([C@@H](C2)O)[NH+]3CCOCC3)Cl)OC

InChI

InChI=1S/C18H27ClN2O4/c1-23-17-10-13(9-14(19)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+2/t15-,16-/m1/s1