3-[4-(2-tert-butyl-1,2,3,4-tetrazol-2-ium-2-yl)phenyl]propanoic acid

Systemtic Name: 3-[4-(2-tert-butyl-1,2,3,4-tetrazol-2-ium-2-yl)phenyl]propanoic acid Openeye Name: 3-[4-(2-tert-butyltetrazol-2-ium-2-yl)phenyl]propanoic acid CAS Name: 3-[4-(2-tert-butyl-2-tetrazol-2-iumyl)phenyl]propanoic acid IUPAC Name: 3-[4-(2-tert-butyltetrazol-2-ium-2-yl)phenyl]propanoic acid Traditional Name: 3-[4-(2-tert-butyltetrazol-2-ium-2-yl)phenyl]propionic acid Formula: C14H19N4O2+ MolecularWeight: 275.32626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[N+]1(N=CN=N1)C2=CC=C(C=C2)CCC(=O)O

Isomeric SMILES

CC(C)(C)[N+]1(N=CN=N1)C2=CC=C(C=C2)CCC(=O)O

InChI

InChI=1S/C14H18N4O2/c1-14(2,3)18(16-10-15-17-18)12-7-4-11(5-8-12)6-9-13(19)20/h4-5,7-8,10H,6,9H2,1-3H3/p+1