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

Systemtic Name: 1-[(2-chloranyl-5-nitro-phenyl)methyl]-4-(2,5-dimethylphenyl)piperazin-1-ium Openeye Name: 1-[(2-chloro-5-nitro-phenyl)methyl]-4-(2,5-dimethylphenyl)piperazin-1-ium CAS Name: 1-[(2-chloro-5-nitrophenyl)methyl]-4-(2,5-dimethylphenyl)piperazin-1-ium IUPAC Name: 1-[(2-chloro-5-nitrophenyl)methyl]-4-(2,5-dimethylphenyl)piperazin-1-ium Traditional Name: 1-(2-chloro-5-nitro-benzyl)-4-(2,5-dimethylphenyl)piperazin-1-ium Formula: C19H23ClN3O2+ MolecularWeight: 360.85782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CC[NH+](CC2)CC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CC[NH+](CC2)CC3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H22ClN3O2/c1-14-3-4-15(2)19(11-14)22-9-7-21(8-10-22)13-16-12-17(23(24)25)5-6-18(16)20/h3-6,11-12H,7-10,13H2,1-2H3/p+1