[1-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbonylamino)methyl]cycloheptyl]-dimethyl-azanium

Systemtic Name: [1-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbonylamino)methyl]cycloheptyl]-dimethyl-azanium Openeye Name: [1-[(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonylamino)methyl]cycloheptyl]-dimethyl-ammonium CAS Name: [1-[[[3,4-dihydro-2H-1,5-benzodioxepin-7-yl(oxo)methyl]amino]methyl]cycloheptyl]-dimethylammonium IUPAC Name: [1-[(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonylamino)methyl]cycloheptyl]-dimethylazanium Traditional Name: [1-[(3,4-dihydro-2H-1,5-benzodioxepin-7-carbonylamino)methyl]cycloheptyl]-dimethyl-ammonium Formula: C20H31N2O3+ MolecularWeight: 347.47174

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C1(CCCCCC1)CNC(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

C[NH+](C)C1(CCCCCC1)CNC(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C20H30N2O3/c1-22(2)20(10-5-3-4-6-11-20)15-21-19(23)16-8-9-17-18(14-16)25-13-7-12-24-17/h8-9,14H,3-7,10-13,15H2,1-2H3,(H,21,23)/p+1