3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propyl-diethyl-azanium

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propyl-diethyl-azanium Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propyl-diethyl-ammonium CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propyl-diethylammonium IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propyl-diethylazanium Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propyl-diethyl-ammonium Formula: C16H27N2O4S+ MolecularWeight: 343.46158

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCNS(=O)(=O)C1=CC2=C(C=C1)OCCCO2

Isomeric SMILES

CC[NH+](CC)CCCNS(=O)(=O)C1=CC2=C(C=C1)OCCCO2

InChI

InChI=1S/C16H26N2O4S/c1-3-18(4-2)10-5-9-17-23(19,20)14-7-8-15-16(13-14)22-12-6-11-21-15/h7-8,13,17H,3-6,9-12H2,1-2H3/p+1