(3R,4R)-4-(azepan-1-ium-1-yl)-1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-1-ium-3-ol Openeye Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-1-ium-3-ol CAS Name: (3R,4R)-4-(1-azepan-1-iumyl)-1-(2,1,3-benzoxadiazol-4-ylmethyl)-3-piperidin-1-iumol IUPAC Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-1-ium-3-ol Traditional Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-(benzofurazan-4-ylmethyl)piperidin-1-ium-3-ol Formula: C18H28N4O2+2 MolecularWeight: 332.44052

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C2CC[NH+](CC2O)CC3=CC=CC4=NON=C43

Isomeric SMILES

C1CCC[NH+](CC1)[C@@H]2CC[NH+](C[C@H]2O)CC3=CC=CC4=NON=C43

InChI

InChI=1S/C18H26N4O2/c23-17-13-21(11-8-16(17)22-9-3-1-2-4-10-22)12-14-6-5-7-15-18(14)20-24-19-15/h5-7,16-17,23H,1-4,8-13H2/p+2/t16-,17-/m1/s1