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

Systemtic Name: 1-[(4-chloranyl-3-nitro-phenyl)methyl]-4-(2,3-dimethylphenyl)piperazin-1-ium Openeye Name: 1-[(4-chloro-3-nitro-phenyl)methyl]-4-(2,3-dimethylphenyl)piperazin-1-ium CAS Name: 1-[(4-chloro-3-nitrophenyl)methyl]-4-(2,3-dimethylphenyl)piperazin-1-ium IUPAC Name: 1-[(4-chloro-3-nitrophenyl)methyl]-4-(2,3-dimethylphenyl)piperazin-1-ium Traditional Name: 1-(4-chloro-3-nitro-benzyl)-4-(2,3-dimethylphenyl)piperazin-1-ium Formula: C19H23ClN3O2+ MolecularWeight: 360.85782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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