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

Systemtic Name: 2-[4-(5-fluoranylbenzotriazol-1-yl)piperidin-1-ium-1-yl]-N-phenethyl-ethanamide Openeye Name: 2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-ium-1-yl]-N-phenethyl-acetamide CAS Name: 2-[4-(5-fluoro-1-benzotriazolyl)-1-piperidin-1-iumyl]-N-phenethylacetamide IUPAC Name: 2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-ium-1-yl]-N-phenethylacetamide Traditional Name: 2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-ium-1-yl]-N-phenethyl-acetamide Formula: C21H25FN5O+ MolecularWeight: 382.454503

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C3=C(C=C(C=C3)F)N=N2)CC(=O)NCCC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1N2C3=C(C=C(C=C3)F)N=N2)CC(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C21H24FN5O/c22-17-6-7-20-19(14-17)24-25-27(20)18-9-12-26(13-10-18)15-21(28)23-11-8-16-4-2-1-3-5-16/h1-7,14,18H,8-13,15H2,(H,23,28)/p+1