2,2-dimethyl-1,3,4,5-tetrahydro-2-benzazepin-2-ium iodide

Systemtic Name: 2,2-dimethyl-1,3,4,5-tetrahydro-2-benzazepin-2-ium iodide Openeye Name: 2,2-dimethyl-1,3,4,5-tetrahydro-2-benzazepin-2-ium iodide CAS Name: 2,2-dimethyl-1,3,4,5-tetrahydro-2-benzazepin-2-ium iodide IUPAC Name: 2,2-dimethyl-1,3,4,5-tetrahydro-2-benzazepin-2-ium iodide Traditional Name: 2,2-dimethyl-1,3,4,5-tetrahydro-2-benzazepin-2-ium iodide Formula: C12H18IN MolecularWeight: 303.18249

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC2=CC=CC=C2C1)C.[I-]

Isomeric SMILES

C[N+]1(CCCC2=CC=CC=C2C1)C.[I-]

InChI

InChI=1S/C12H18N.HI/c1-13(2)9-5-8-11-6-3-4-7-12(11)10-13;/h3-4,6-7H,5,8-10H2,1-2H3;1H/q+1;/p-1