(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-(4-cyano-4-phenyl-cyclohexyl)azanium

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-(4-cyano-4-phenyl-cyclohexyl)azanium Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-(4-cyano-4-phenyl-cyclohexyl)ammonium CAS Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-(4-cyano-4-phenylcyclohexyl)ammonium IUPAC Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-(4-cyano-4-phenylcyclohexyl)azanium Traditional Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-(4-cyano-4-phenyl-cyclohexyl)ammonium Formula: C23H26ClN2O2+ MolecularWeight: 397.91774

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C[NH2+]C3CCC(CC3)(C#N)C4=CC=CC=C4)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)C[NH2+]C3CCC(CC3)(C#N)C4=CC=CC=C4)Cl)OC1

InChI

InChI=1S/C23H25ClN2O2/c24-20-13-17(14-21-22(20)28-12-4-11-27-21)15-26-19-7-9-23(16-25,10-8-19)18-5-2-1-3-6-18/h1-3,5-6,13-14,19,26H,4,7-12,15H2/p+1