1-[5-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonyl-1H-pyrrol-3-yl]-2-phenyl-ethanone

Systemtic Name: 1-[5-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonyl-1H-pyrrol-3-yl]-2-phenyl-ethanone Openeye Name: 1-[5-(4-benzhydrylpiperazin-4-ium-1-carbonyl)-1H-pyrrol-3-yl]-2-phenyl-ethanone CAS Name: 1-[5-[[4-(diphenylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-1H-pyrrol-3-yl]-2-phenylethanone IUPAC Name: 1-[5-(4-benzhydrylpiperazin-4-ium-1-carbonyl)-1H-pyrrol-3-yl]-2-phenylethanone Traditional Name: 1-[5-(4-benzhydrylpiperazin-4-ium-1-carbonyl)-1H-pyrrol-3-yl]-2-phenyl-ethanone Formula: C30H30N3O2+ MolecularWeight: 464.5781

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC(=CN4)C(=O)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC(=CN4)C(=O)CC5=CC=CC=C5

InChI

InChI=1S/C30H29N3O2/c34-28(20-23-10-4-1-5-11-23)26-21-27(31-22-26)30(35)33-18-16-32(17-19-33)29(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,21-22,29,31H,16-20H2/p+1