1-(4-chloranyl-3-nitro-phenyl)sulfonyl-4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium

Systemtic Name: 1-(4-chloranyl-3-nitro-phenyl)sulfonyl-4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium Openeye Name: 1-(4-chloro-3-nitro-phenyl)sulfonyl-4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium CAS Name: 1-(4-chloro-3-nitrophenyl)sulfonyl-4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium IUPAC Name: 1-(4-chloro-3-nitrophenyl)sulfonyl-4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium Traditional Name: 1-(4-chloro-3-nitro-phenyl)sulfonyl-4-(coumaran-5-ylmethyl)piperazin-4-ium Formula: C19H21ClN3O5S+ MolecularWeight: 438.90514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN3O5S/c20-17-3-2-16(12-18(17)23(24)25)29(26,27)22-8-6-21(7-9-22)13-14-1-4-19-15(11-14)5-10-28-19/h1-4,11-12H,5-10,13H2/p+1