4-[(5-chloranyl-2-methoxy-phenyl)methyl]-N-(2-methoxy-4-nitro-phenyl)piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[(5-chloranyl-2-methoxy-phenyl)methyl]-N-(2-methoxy-4-nitro-phenyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-[(5-chloro-2-methoxy-phenyl)methyl]-N-(2-methoxy-4-nitro-phenyl)piperazin-4-ium-1-carboxamide CAS Name: 4-[(5-chloro-2-methoxyphenyl)methyl]-N-(2-methoxy-4-nitrophenyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(5-chloro-2-methoxyphenyl)methyl]-N-(2-methoxy-4-nitrophenyl)piperazin-4-ium-1-carboxamide Traditional Name: 4-(5-chloro-2-methoxy-benzyl)-N-(2-methoxy-4-nitro-phenyl)piperazin-4-ium-1-carboxamide Formula: C20H24ClN4O5+ MolecularWeight: 435.88136

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C[NH+]2CCN(CC2)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C[NH+]2CCN(CC2)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C20H23ClN4O5/c1-29-18-6-3-15(21)11-14(18)13-23-7-9-24(10-8-23)20(26)22-17-5-4-16(25(27)28)12-19(17)30-2/h3-6,11-12H,7-10,13H2,1-2H3,(H,22,26)/p+1