4-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-5-nitro-phenyl]sulfonylmorpholine

Systemtic Name: 4-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-5-nitro-phenyl]sulfonylmorpholine Openeye Name: 4-[2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-5-nitro-phenyl]sulfonylmorpholine CAS Name: 4-[2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-5-nitrophenyl]sulfonylmorpholine IUPAC Name: 4-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-5-nitrophenyl]sulfonylmorpholine Traditional Name: 4-[2-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]-5-nitro-phenyl]sulfonylmorpholine Formula: C23H29N4O6S+ MolecularWeight: 489.56456

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C4=C(C=C(C=C4)[N+](=O)[O-])S(=O)(=O)N5CCOCC5

Isomeric SMILES

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C4=C(C=C(C=C4)[N+](=O)[O-])S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C23H28N4O6S/c28-27(29)20-2-3-21(23(16-20)34(30,31)26-10-13-32-14-11-26)25-8-6-24(7-9-25)17-18-1-4-22-19(15-18)5-12-33-22/h1-4,15-16H,5-14,17H2/p+1