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

Systemtic Name: 1-[[4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]methyl]-4-(phenylmethyl)piperazine-1,4-diium Openeye Name: 1-benzyl-4-[[4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]methyl]piperazine-1,4-diium CAS Name: 1-[[4-[(4-chlorophenyl)thio]-3-nitrophenyl]methyl]-4-(phenylmethyl)piperazine-1,4-diium IUPAC Name: 1-benzyl-4-[[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]methyl]piperazine-1,4-diium Traditional Name: 1-benzyl-4-[4-[(4-chlorophenyl)thio]-3-nitro-benzyl]piperazine-1,4-diium Formula: C24H26ClN3O2S+2 MolecularWeight: 456.00014

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CC3=CC(=C(C=C3)SC4=CC=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CC3=CC(=C(C=C3)SC4=CC=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C24H24ClN3O2S/c25-21-7-9-22(10-8-21)31-24-11-6-20(16-23(24)28(29)30)18-27-14-12-26(13-15-27)17-19-4-2-1-3-5-19/h1-11,16H,12-15,17-18H2/p+2