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

Systemtic Name: [4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)methyl]phenyl]methyl-dimethyl-azanium Openeye Name: [4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)methyl]phenyl]methyl-dimethyl-ammonium CAS Name: [4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)methyl]phenyl]methyl-dimethylammonium IUPAC Name: [4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)methyl]phenyl]methyl-dimethylazanium Traditional Name: [4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)methyl]benzyl]-dimethyl-ammonium Formula: C19H25N2O4S+ MolecularWeight: 377.4778

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=CC=C(C=C1)CNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

C[NH+](C)CC1=CC=C(C=C1)CNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C19H24N2O4S/c1-21(2)14-16-6-4-15(5-7-16)13-20-26(22,23)17-8-9-18-19(12-17)25-11-3-10-24-18/h4-9,12,20H,3,10-11,13-14H2,1-2H3/p+1