1-[(4-chloranyl-3-nitro-phenyl)methyl]-4-(phenylmethyl)piperazine-1,4-diium

Systemtic Name: 1-[(4-chloranyl-3-nitro-phenyl)methyl]-4-(phenylmethyl)piperazine-1,4-diium Openeye Name: 1-benzyl-4-[(4-chloro-3-nitro-phenyl)methyl]piperazine-1,4-diium CAS Name: 1-[(4-chloro-3-nitrophenyl)methyl]-4-(phenylmethyl)piperazine-1,4-diium IUPAC Name: 1-benzyl-4-[(4-chloro-3-nitrophenyl)methyl]piperazine-1,4-diium Traditional Name: 1-benzyl-4-(4-chloro-3-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=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClN3O2/c19-17-7-6-16(12-18(17)22(23)24)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