2-(9-aza-5-azoniaspiro[4.6]undecan-9-yl)-1,3-benzoxazole iodide

Systemtic Name: 2-(9-aza-5-azoniaspiro[4.6]undecan-9-yl)-1,3-benzoxazole iodide Openeye Name: 2-(9-aza-5-azoniaspiro[4.6]undecan-9-yl)-1,3-benzoxazole iodide CAS Name: 2-(9-aza-5-azoniaspiro[4.6]undecan-9-yl)-1,3-benzoxazole iodide IUPAC Name: 2-(9-aza-5-azoniaspiro[4.6]undecan-9-yl)-1,3-benzoxazole iodide Traditional Name: 2-(9-aza-5-azoniaspiro[4.6]undecan-9-yl)-1,3-benzoxazole iodide Formula: C16H22IN3O MolecularWeight: 399.26985

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+]2(C1)CCCN(CC2)C3=NC4=CC=CC=C4O3.[I-]

Isomeric SMILES

C1CC[N+]2(C1)CCCN(CC2)C3=NC4=CC=CC=C4O3.[I-]

InChI

InChI=1S/C16H22N3O.HI/c1-2-7-15-14(6-1)17-16(20-15)18-8-5-12-19(13-9-18)10-3-4-11-19;/h1-2,6-7H,3-5,8-13H2;1H/q+1;/p-1