1,1-dimethyl-4-phenyl-1,4-diazepan-1-ium iodide

Systemtic Name: 1,1-dimethyl-4-phenyl-1,4-diazepan-1-ium iodide Openeye Name: 1,1-dimethyl-4-phenyl-1,4-diazepan-1-ium iodide CAS Name: 1,1-dimethyl-4-phenyl-1,4-diazepan-1-ium iodide IUPAC Name: 1,1-dimethyl-4-phenyl-1,4-diazepan-1-ium iodide Traditional Name: 1,1-dimethyl-4-phenyl-1,4-diazepan-1-ium iodide Formula: C13H21IN2 MolecularWeight: 332.22371

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCN(CC1)C2=CC=CC=C2)C.[I-]

Isomeric SMILES

C[N+]1(CCCN(CC1)C2=CC=CC=C2)C.[I-]

InChI

InChI=1S/C13H21N2.HI/c1-15(2)11-6-9-14(10-12-15)13-7-4-3-5-8-13;/h3-5,7-8H,6,9-12H2,1-2H3;1H/q+1;/p-1