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

Systemtic Name: [4-(cyclopropylamino)-3-nitro-phenyl]-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: [4-(cyclopropylamino)-3-nitro-phenyl]-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [4-(cyclopropylamino)-3-nitrophenyl]-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: [4-(cyclopropylamino)-3-nitrophenyl]-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: [4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]-[4-(cyclopropylamino)-3-nitro-phenyl]methanone Formula: C23H27N4O4+ MolecularWeight: 423.48488

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=C(C=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCC5)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC2=C(C=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCC5)[N+](=O)[O-]

InChI

InChI=1S/C23H26N4O4/c28-23(18-2-5-20(24-19-3-4-19)21(14-18)27(29)30)26-10-8-25(9-11-26)15-16-1-6-22-17(13-16)7-12-31-22/h1-2,5-6,13-14,19,24H,3-4,7-12,15H2/p+1