(3R,4R)-1-[(2-methoxyquinolin-3-yl)methyl]-4-(4-oxidanylpiperidin-1-ium-1-yl)piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-1-[(2-methoxyquinolin-3-yl)methyl]-4-(4-oxidanylpiperidin-1-ium-1-yl)piperidin-1-ium-3-ol Openeye Name: (3R,4R)-4-(4-hydroxypiperidin-1-ium-1-yl)-1-[(2-methoxy-3-quinolyl)methyl]piperidin-1-ium-3-ol CAS Name: (3R,4R)-4-(4-hydroxy-1-piperidin-1-iumyl)-1-[(2-methoxy-3-quinolinyl)methyl]-3-piperidin-1-iumol IUPAC Name: (3R,4R)-4-(4-hydroxypiperidin-1-ium-1-yl)-1-[(2-methoxyquinolin-3-yl)methyl]piperidin-1-ium-3-ol Traditional Name: (3R,4R)-4-(4-hydroxypiperidin-1-ium-1-yl)-1-[(2-methoxy-3-quinolyl)methyl]piperidin-1-ium-3-ol Formula: C21H31N3O3+2 MolecularWeight: 373.48914

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC2=CC=CC=C2C=C1C[NH+]3CCC(C(C3)O)[NH+]4CCC(CC4)O

Isomeric SMILES

COC1=NC2=CC=CC=C2C=C1C[NH+]3CC[C@H]([C@@H](C3)O)[NH+]4CCC(CC4)O

InChI

InChI=1S/C21H29N3O3/c1-27-21-16(12-15-4-2-3-5-18(15)22-21)13-23-9-8-19(20(26)14-23)24-10-6-17(25)7-11-24/h2-5,12,17,19-20,25-26H,6-11,13-14H2,1H3/p+2/t19-,20-/m1/s1