(2R)-1-[2-methoxy-4-[(4-methoxypiperidin-1-ium-1-yl)methyl]phenoxy]-3-morpholin-4-ium-4-yl-propan-2-ol

Systemtic Name: (2R)-1-[2-methoxy-4-[(4-methoxypiperidin-1-ium-1-yl)methyl]phenoxy]-3-morpholin-4-ium-4-yl-propan-2-ol Openeye Name: (2R)-1-[2-methoxy-4-[(4-methoxypiperidin-1-ium-1-yl)methyl]phenoxy]-3-morpholin-4-ium-4-yl-propan-2-ol CAS Name: (2R)-1-[2-methoxy-4-[(4-methoxy-1-piperidin-1-iumyl)methyl]phenoxy]-3-(4-morpholin-4-iumyl)-2-propanol IUPAC Name: (2R)-1-[2-methoxy-4-[(4-methoxypiperidin-1-ium-1-yl)methyl]phenoxy]-3-morpholin-4-ium-4-ylpropan-2-ol Traditional Name: (2R)-1-[2-methoxy-4-[(4-methoxypiperidin-1-ium-1-yl)methyl]phenoxy]-3-morpholin-4-ium-4-yl-propan-2-ol Formula: C21H36N2O5+2 MolecularWeight: 396.52094

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Descriptors Computed from Structure

Canonical SMILES:

COC1CC[NH+](CC1)CC2=CC(=C(C=C2)OCC(C[NH+]3CCOCC3)O)OC

Isomeric SMILES

COC1CC[NH+](CC1)CC2=CC(=C(C=C2)OC[C@@H](C[NH+]3CCOCC3)O)OC

InChI

InChI=1S/C21H34N2O5/c1-25-19-5-7-22(8-6-19)14-17-3-4-20(21(13-17)26-2)28-16-18(24)15-23-9-11-27-12-10-23/h3-4,13,18-19,24H,5-12,14-16H2,1-2H3/p+2/t18-/m1/s1