1,1-dimethyl-7-phenyl-3a,4,5,6,7,7a-hexahydro-3H-2,1-benzoxazol-1-ium iodide

Systemtic Name: 1,1-dimethyl-7-phenyl-3a,4,5,6,7,7a-hexahydro-3H-2,1-benzoxazol-1-ium iodide Openeye Name: 1,1-dimethyl-7-phenyl-3a,4,5,6,7,7a-hexahydro-3H-2,1-benzoxazol-1-ium iodide CAS Name: 1,1-dimethyl-7-phenyl-3a,4,5,6,7,7a-hexahydro-3H-2,1-benzoxazol-1-ium iodide IUPAC Name: 1,1-dimethyl-7-phenyl-3a,4,5,6,7,7a-hexahydro-3H-2,1-benzoxazol-1-ium iodide Traditional Name: 1,1-dimethyl-7-phenyl-3a,4,5,6,7,7a-hexahydro-3H-anthranil-1-ium iodide Formula: C15H22INO MolecularWeight: 359.24575

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2C(CCCC2C3=CC=CC=C3)CO1)C.[I-]

Isomeric SMILES

C[N+]1(C2C(CCCC2C3=CC=CC=C3)CO1)C.[I-]

InChI

InChI=1S/C15H22NO.HI/c1-16(2)15-13(11-17-16)9-6-10-14(15)12-7-4-3-5-8-12;/h3-5,7-8,13-15H,6,9-11H2,1-2H3;1H/q+1;/p-1