N-[1-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)methyl]piperidin-1-ium-4-yl]-3-fluoranyl-benzamide

Systemtic Name: N-[1-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)methyl]piperidin-1-ium-4-yl]-3-fluoranyl-benzamide Openeye Name: N-[1-[(1-tert-butyltetrazol-5-yl)methyl]piperidin-1-ium-4-yl]-3-fluoro-benzamide CAS Name: N-[1-[(1-tert-butyl-5-tetrazolyl)methyl]-4-piperidin-1-iumyl]-3-fluorobenzamide IUPAC Name: N-[1-[(1-tert-butyltetrazol-5-yl)methyl]piperidin-1-ium-4-yl]-3-fluorobenzamide Traditional Name: N-[1-[(1-tert-butyltetrazol-5-yl)methyl]piperidin-1-ium-4-yl]-3-fluoro-benzamide Formula: C18H26FN6O+ MolecularWeight: 361.437043

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=NN=N1)C[NH+]2CCC(CC2)NC(=O)C3=CC(=CC=C3)F

Isomeric SMILES

CC(C)(C)N1C(=NN=N1)C[NH+]2CCC(CC2)NC(=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C18H25FN6O/c1-18(2,3)25-16(21-22-23-25)12-24-9-7-15(8-10-24)20-17(26)13-5-4-6-14(19)11-13/h4-6,11,15H,7-10,12H2,1-3H3,(H,20,26)/p+1