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

Systemtic Name: (3S,4S)-1-[(2,5-dimethoxyphenyl)methyl]-4-morpholin-4-yl-pyrrolidin-1-ium-3-ol Openeye Name: (3S,4S)-1-[(2,5-dimethoxyphenyl)methyl]-4-morpholino-pyrrolidin-1-ium-3-ol CAS Name: (3S,4S)-1-[(2,5-dimethoxyphenyl)methyl]-4-(4-morpholinyl)-3-pyrrolidin-1-iumol IUPAC Name: (3S,4S)-1-[(2,5-dimethoxyphenyl)methyl]-4-morpholin-4-ylpyrrolidin-1-ium-3-ol Traditional Name: (3S,4S)-1-(2,5-dimethoxybenzyl)-4-morpholino-pyrrolidin-1-ium-3-ol Formula: C17H27N2O4+ MolecularWeight: 323.40728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O4/c1-21-14-3-4-17(22-2)13(9-14)10-18-11-15(16(20)12-18)19-5-7-23-8-6-19/h3-4,9,15-16,20H,5-8,10-12H2,1-2H3/p+1/t15-,16-/m0/s1