1-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-(phenylsulfonyl)piperazin-1-ium

Systemtic Name: 1-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-(phenylsulfonyl)piperazin-1-ium Openeye Name: 1-(benzenesulfonyl)-4-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazin-4-ium CAS Name: 1-(benzenesulfonyl)-4-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazin-4-ium IUPAC Name: 1-(benzenesulfonyl)-4-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazin-4-ium Traditional Name: 1-besyl-4-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazin-4-ium Formula: C19H22ClN2O4S+ MolecularWeight: 409.90698

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C(=C2)Cl)OCCO3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C(=C2)Cl)OCCO3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C19H21ClN2O4S/c20-17-12-15(13-18-19(17)26-11-10-25-18)14-21-6-8-22(9-7-21)27(23,24)16-4-2-1-3-5-16/h1-5,12-13H,6-11,14H2/p+1