1-(3-chlorophenyl)-4-[(4,5-dimethoxy-2-nitro-phenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(3-chlorophenyl)-4-[(4,5-dimethoxy-2-nitro-phenyl)methyl]piperazin-4-ium Openeye Name: 1-(3-chlorophenyl)-4-[(4,5-dimethoxy-2-nitro-phenyl)methyl]piperazin-4-ium CAS Name: 1-(3-chlorophenyl)-4-[(4,5-dimethoxy-2-nitrophenyl)methyl]piperazin-4-ium IUPAC Name: 1-(3-chlorophenyl)-4-[(4,5-dimethoxy-2-nitrophenyl)methyl]piperazin-4-ium Traditional Name: 1-(3-chlorophenyl)-4-(4,5-dimethoxy-2-nitro-benzyl)piperazin-4-ium Formula: C19H23ClN3O4+ MolecularWeight: 392.85662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22ClN3O4/c1-26-18-10-14(17(23(24)25)12-19(18)27-2)13-21-6-8-22(9-7-21)16-5-3-4-15(20)11-16/h3-5,10-12H,6-9,13H2,1-2H3/p+1