1-(2-chlorophenyl)sulfonyl-4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium

Systemtic Name: 1-(2-chlorophenyl)sulfonyl-4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium Openeye Name: 1-(2-chlorophenyl)sulfonyl-4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium CAS Name: 1-(2-chlorophenyl)sulfonyl-4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium IUPAC Name: 1-(2-chlorophenyl)sulfonyl-4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium Traditional Name: 1-(2-chlorophenyl)sulfonyl-4-(coumaran-5-ylmethyl)piperazin-4-ium Formula: C19H22ClN2O3S+ MolecularWeight: 393.90758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClN2O3S/c20-17-3-1-2-4-19(17)26(23,24)22-10-8-21(9-11-22)14-15-5-6-18-16(13-15)7-12-25-18/h1-6,13H,7-12,14H2/p+1