1-[(2-chloranyl-5-nitro-phenyl)methyl]-4-(phenylmethyl)piperazine-1,4-diium

Systemtic Name: 1-[(2-chloranyl-5-nitro-phenyl)methyl]-4-(phenylmethyl)piperazine-1,4-diium Openeye Name: 1-benzyl-4-[(2-chloro-5-nitro-phenyl)methyl]piperazine-1,4-diium CAS Name: 1-[(2-chloro-5-nitrophenyl)methyl]-4-(phenylmethyl)piperazine-1,4-diium IUPAC Name: 1-benzyl-4-[(2-chloro-5-nitrophenyl)methyl]piperazine-1,4-diium Traditional Name: 1-benzyl-4-(2-chloro-5-nitro-benzyl)piperazine-1,4-diium Formula: C18H22ClN3O2+2 MolecularWeight: 347.83918

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CC3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H20ClN3O2/c19-18-7-6-17(22(23)24)12-16(18)14-21-10-8-20(9-11-21)13-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2/p+2