(4-chlorophenyl)-[2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-5-nitro-phenyl]methanone

Systemtic Name: (4-chlorophenyl)-[2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-5-nitro-phenyl]methanone Openeye Name: [2-(4-benzhydrylpiperazin-4-ium-1-yl)-5-nitro-phenyl]-(4-chlorophenyl)methanone CAS Name: (4-chlorophenyl)-[2-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-5-nitrophenyl]methanone IUPAC Name: [2-(4-benzhydrylpiperazin-4-ium-1-yl)-5-nitrophenyl]-(4-chlorophenyl)methanone Traditional Name: [2-(4-benzhydrylpiperazin-4-ium-1-yl)-5-nitro-phenyl]-(4-chlorophenyl)methanone Formula: C30H27ClN3O3+ MolecularWeight: 513.00668

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C30H26ClN3O3/c31-25-13-11-24(12-14-25)30(35)27-21-26(34(36)37)15-16-28(27)32-17-19-33(20-18-32)29(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-16,21,29H,17-20H2/p+1