[4-(4-chloranyl-2-nitro-phenoxy)-3-methoxy-phenyl]-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [4-(4-chloranyl-2-nitro-phenoxy)-3-methoxy-phenyl]-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: [4-(4-chloro-2-nitro-phenoxy)-3-methoxy-phenyl]-[4-(2-furylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [4-(4-chloro-2-nitrophenoxy)-3-methoxyphenyl]-[4-(2-furanylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: [4-(4-chloro-2-nitrophenoxy)-3-methoxyphenyl]-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: [4-(4-chloro-2-nitro-phenoxy)-3-methoxy-phenyl]-[4-(2-furfuryl)piperazin-4-ium-1-yl]methanone Formula: C23H23ClN3O6+ MolecularWeight: 472.89822

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CO3)OC4=C(C=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CO3)OC4=C(C=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C23H22ClN3O6/c1-31-22-13-16(4-6-21(22)33-20-7-5-17(24)14-19(20)27(29)30)23(28)26-10-8-25(9-11-26)15-18-3-2-12-32-18/h2-7,12-14H,8-11,15H2,1H3/p+1