1-(2-chloranyl-4-nitro-phenyl)-4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(2-chloranyl-4-nitro-phenyl)-4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium Openeye Name: 1-(2-chloro-4-nitro-phenyl)-4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium CAS Name: 1-(2-chloro-4-nitrophenyl)-4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(2-chloro-4-nitrophenyl)-4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-(2-chloro-4-nitro-phenyl)-4-veratryl-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=C(C=C(C=C3)[N+](=O)[O-])Cl)OC

Isomeric SMILES

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

InChI

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