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

Systemtic Name: 2-[4-(5-fluoranylbenzotriazol-1-yl)piperidin-1-ium-1-yl]-N-naphthalen-2-yl-N-phenyl-ethanamide Openeye Name: 2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-ium-1-yl]-N-(2-naphthyl)-N-phenyl-acetamide CAS Name: 2-[4-(5-fluoro-1-benzotriazolyl)-1-piperidin-1-iumyl]-N-(2-naphthalenyl)-N-phenylacetamide IUPAC Name: 2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-ium-1-yl]-N-naphthalen-2-yl-N-phenylacetamide Traditional Name: 2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-ium-1-yl]-N-(2-naphthyl)-N-phenyl-acetamide Formula: C29H27FN5O+ MolecularWeight: 480.555983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C3=C(C=C(C=C3)F)N=N2)CC(=O)N(C4=CC=CC=C4)C5=CC6=CC=CC=C6C=C5

Isomeric SMILES

C1C[NH+](CCC1N2C3=C(C=C(C=C3)F)N=N2)CC(=O)N(C4=CC=CC=C4)C5=CC6=CC=CC=C6C=C5

InChI

InChI=1S/C29H26FN5O/c30-23-11-13-28-27(19-23)31-32-35(28)25-14-16-33(17-15-25)20-29(36)34(24-8-2-1-3-9-24)26-12-10-21-6-4-5-7-22(21)18-26/h1-13,18-19,25H,14-17,20H2/p+1