N-tert-butyl-2-[4-(5-fluoranylbenzotriazol-1-yl)piperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-(5-fluoranylbenzotriazol-1-yl)piperidin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-(5-fluoro-1-benzotriazolyl)-1-piperidin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-ium-1-yl]acetamide Formula: C17H25FN5O+ MolecularWeight: 334.411703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCC(CC1)N2C3=C(C=C(C=C3)F)N=N2

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCC(CC1)N2C3=C(C=C(C=C3)F)N=N2

InChI

InChI=1S/C17H24FN5O/c1-17(2,3)19-16(24)11-22-8-6-13(7-9-22)23-15-5-4-12(18)10-14(15)20-21-23/h4-5,10,13H,6-9,11H2,1-3H3,(H,19,24)/p+1