1-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-methylsulfonyl-1,4-diazepan-1-ium

Systemtic Name: 1-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-methylsulfonyl-1,4-diazepan-1-ium Openeye Name: 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-methylsulfonyl-1,4-diazepan-1-ium CAS Name: 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-methylsulfonyl-1,4-diazepan-1-ium IUPAC Name: 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-methylsulfonyl-1,4-diazepan-1-ium Traditional Name: 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-mesyl-1,4-diazepan-1-ium Formula: C16H24ClN2O4S+ MolecularWeight: 375.89076

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC[NH+](CC1)CC2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

CS(=O)(=O)N1CCC[NH+](CC1)CC2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C16H23ClN2O4S/c1-24(20,21)19-5-2-4-18(6-7-19)12-13-10-14(17)16-15(11-13)22-8-3-9-23-16/h10-11H,2-9,12H2,1H3/p+1