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

Systemtic Name: 1-(4-chloranyl-2-nitro-phenyl)-4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium Openeye Name: 1-(4-chloro-2-nitro-phenyl)-4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium CAS Name: 1-(4-chloro-2-nitrophenyl)-4-[(2-methoxy-5-methylphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(4-chloro-2-nitrophenyl)-4-[(2-methoxy-5-methylphenyl)methyl]piperazin-4-ium Traditional Name: 1-(4-chloro-2-nitro-phenyl)-4-(2-methoxy-5-methyl-benzyl)piperazin-4-ium Formula: C19H23ClN3O3+ MolecularWeight: 376.85722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H22ClN3O3/c1-14-3-6-19(26-2)15(11-14)13-21-7-9-22(10-8-21)17-5-4-16(20)12-18(17)23(24)25/h3-6,11-12H,7-10,13H2,1-2H3/p+1