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

Systemtic Name: 4-bromanyl-N-[1-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)methyl]piperidin-1-ium-4-yl]benzamide Openeye Name: 4-bromo-N-[1-[(1-tert-butyltetrazol-5-yl)methyl]piperidin-1-ium-4-yl]benzamide CAS Name: 4-bromo-N-[1-[(1-tert-butyl-5-tetrazolyl)methyl]-4-piperidin-1-iumyl]benzamide IUPAC Name: 4-bromo-N-[1-[(1-tert-butyltetrazol-5-yl)methyl]piperidin-1-ium-4-yl]benzamide Traditional Name: 4-bromo-N-[1-[(1-tert-butyltetrazol-5-yl)methyl]piperidin-1-ium-4-yl]benzamide Formula: C18H26BrN6O+ MolecularWeight: 422.34264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25BrN6O/c1-18(2,3)25-16(21-22-23-25)12-24-10-8-15(9-11-24)20-17(26)13-4-6-14(19)7-5-13/h4-7,15H,8-12H2,1-3H3,(H,20,26)/p+1