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

Systemtic Name: 1-[(2-chloranyl-5-nitro-phenyl)methyl]-4-phenyl-piperazin-1-ium Openeye Name: 1-[(2-chloro-5-nitro-phenyl)methyl]-4-phenyl-piperazin-1-ium CAS Name: 1-[(2-chloro-5-nitrophenyl)methyl]-4-phenylpiperazin-1-ium IUPAC Name: 1-[(2-chloro-5-nitrophenyl)methyl]-4-phenylpiperazin-1-ium Traditional Name: 1-(2-chloro-5-nitro-benzyl)-4-phenyl-piperazin-1-ium Formula: C17H19ClN3O2+ MolecularWeight: 332.80466

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C3=CC=CC=C3

InChI

InChI=1S/C17H18ClN3O2/c18-17-7-6-16(21(22)23)12-14(17)13-19-8-10-20(11-9-19)15-4-2-1-3-5-15/h1-7,12H,8-11,13H2/p+1