6-chloranyl-3-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one

Systemtic Name: 6-chloranyl-3-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Openeye Name: 6-chloro-3-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one CAS Name: 6-chloro-3-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-1-iumyl]methyl]-1,3-benzoxazol-2-one IUPAC Name: 6-chloro-3-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Traditional Name: 6-chloro-3-[[4-(coumaran-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Formula: C21H23ClN3O3+ MolecularWeight: 400.87862

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)CN3CC[NH+](CC3)CN4C5=C(C=C(C=C5)Cl)OC4=O

Isomeric SMILES

C1COC2=C1C=C(C=C2)CN3CC[NH+](CC3)CN4C5=C(C=C(C=C5)Cl)OC4=O

InChI

InChI=1S/C21H22ClN3O3/c22-17-2-3-18-20(12-17)28-21(26)25(18)14-24-8-6-23(7-9-24)13-15-1-4-19-16(11-15)5-10-27-19/h1-4,11-12H,5-10,13-14H2/p+1