1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazin-4-ium

Systemtic Name: 1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazin-4-ium Openeye Name: 1-(2,3-dihydrobenzofuran-5-ylsulfonyl)piperazin-4-ium CAS Name: 1-(2,3-dihydrobenzofuran-5-ylsulfonyl)piperazin-4-ium IUPAC Name: 1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazin-4-ium Traditional Name: 1-coumaran-5-ylsulfonylpiperazin-4-ium Formula: C12H17N2O3S+ MolecularWeight: 269.33998

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)S(=O)(=O)N3CC[NH2+]CC3

Isomeric SMILES

C1COC2=C1C=C(C=C2)S(=O)(=O)N3CC[NH2+]CC3

InChI

InChI=1S/C12H16N2O3S/c15-18(16,14-6-4-13-5-7-14)11-1-2-12-10(9-11)3-8-17-12/h1-2,9,13H,3-8H2/p+1