1-[2,6-bis(chloranyl)phenyl]sulfonyl-4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium

Systemtic Name: 1-[2,6-bis(chloranyl)phenyl]sulfonyl-4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium Openeye Name: 1-(2,6-dichlorophenyl)sulfonyl-4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium CAS Name: 1-(2,6-dichlorophenyl)sulfonyl-4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium IUPAC Name: 1-(2,6-dichlorophenyl)sulfonyl-4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium Traditional Name: 1-(coumaran-5-ylmethyl)-4-(2,6-dichlorophenyl)sulfonyl-piperazin-1-ium Formula: C19H21Cl2N2O3S+ MolecularWeight: 428.35264

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)S(=O)(=O)C4=C(C=CC=C4Cl)Cl

Isomeric SMILES

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)S(=O)(=O)C4=C(C=CC=C4Cl)Cl

InChI

InChI=1S/C19H20Cl2N2O3S/c20-16-2-1-3-17(21)19(16)27(24,25)23-9-7-22(8-10-23)13-14-4-5-18-15(12-14)6-11-26-18/h1-5,12H,6-11,13H2/p+1