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

Systemtic Name: (3S,4S)-1-[(5-chloranyl-2,3-dimethoxy-phenyl)methyl]-4-morpholin-4-yl-pyrrolidin-1-ium-3-ol Openeye Name: (3S,4S)-1-[(5-chloro-2,3-dimethoxy-phenyl)methyl]-4-morpholino-pyrrolidin-1-ium-3-ol CAS Name: (3S,4S)-1-[(5-chloro-2,3-dimethoxyphenyl)methyl]-4-(4-morpholinyl)-3-pyrrolidin-1-iumol IUPAC Name: (3S,4S)-1-[(5-chloro-2,3-dimethoxyphenyl)methyl]-4-morpholin-4-ylpyrrolidin-1-ium-3-ol Traditional Name: (3S,4S)-1-(5-chloro-2,3-dimethoxy-benzyl)-4-morpholino-pyrrolidin-1-ium-3-ol Formula: C17H26ClN2O4+ MolecularWeight: 357.85234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25ClN2O4/c1-22-16-8-13(18)7-12(17(16)23-2)9-19-10-14(15(21)11-19)20-3-5-24-6-4-20/h7-8,14-15,21H,3-6,9-11H2,1-2H3/p+1/t14-,15-/m0/s1