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

Systemtic Name: 1-[[4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]methyl]-4-(diphenylmethyl)piperazine-1,4-diium Openeye Name: 1-benzhydryl-4-[[4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]methyl]piperazine-1,4-diium CAS Name: 1-[[4-[(4-chlorophenyl)thio]-3-nitrophenyl]methyl]-4-(diphenylmethyl)piperazine-1,4-diium IUPAC Name: 1-benzhydryl-4-[[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]methyl]piperazine-1,4-diium Traditional Name: 1-benzhydryl-4-[4-[(4-chlorophenyl)thio]-3-nitro-benzyl]piperazine-1,4-diium Formula: C30H30ClN3O2S+2 MolecularWeight: 532.0961

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC(=C(C=C2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-])C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC(=C(C=C2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-])C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H28ClN3O2S/c31-26-12-14-27(15-13-26)37-29-16-11-23(21-28(29)34(35)36)22-32-17-19-33(20-18-32)30(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-16,21,30H,17-20,22H2/p+2