5,5-dimethylspiro[2,4-dihydro-1H-2-benzazepin-2-ium-3,1'-cyclohexane] chloride

Systemtic Name: 5,5-dimethylspiro[2,4-dihydro-1H-2-benzazepin-2-ium-3,1'-cyclohexane] chloride Openeye Name: 5,5-dimethylspiro[2,4-dihydro-1H-2-benzazepin-2-ium-3,1'-cyclohexane] chloride CAS Name: 5,5-dimethylspiro[2,4-dihydro-1H-2-benzazepin-2-ium-3,1'-cyclohexane] chloride IUPAC Name: 5,5-dimethylspiro[2,4-dihydro-1H-2-benzazepin-2-ium-3,1'-cyclohexane] chloride Traditional Name: 5,5-dimethylspiro[2,4-dihydro-1H-2-benzazepin-2-ium-3,1'-cyclohexane] chloride Formula: C17H26ClN MolecularWeight: 279.84804

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2(CCCCC2)[NH2+]CC3=CC=CC=C31)C.[Cl-]

Isomeric SMILES

CC1(CC2(CCCCC2)[NH2+]CC3=CC=CC=C31)C.[Cl-]

InChI

InChI=1S/C17H25N.ClH/c1-16(2)13-17(10-6-3-7-11-17)18-12-14-8-4-5-9-15(14)16;/h4-5,8-9,18H,3,6-7,10-13H2,1-2H3;1H