[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone

Systemtic Name: [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone Openeye Name: [4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-[4-(1-piperidylsulfonyl)phenyl]methanone CAS Name: [4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-[4-(1-piperidinylsulfonyl)phenyl]methanone IUPAC Name: [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone Traditional Name: [4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]-(4-piperidinosulfonylphenyl)methanone Formula: C25H32N3O4S+ MolecularWeight: 470.60428

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCC5

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCC5

InChI

InChI=1S/C25H31N3O4S/c29-25(21-5-7-23(8-6-21)33(30,31)28-11-2-1-3-12-28)27-15-13-26(14-16-27)19-20-4-9-24-22(18-20)10-17-32-24/h4-9,18H,1-3,10-17,19H2/p+1