[4-(4-oxidanyl-4,4-diphenyl-but-2-ynyl)piperazin-4-ium-1-yl]-phenyl-methanone

Systemtic Name: [4-(4-oxidanyl-4,4-diphenyl-but-2-ynyl)piperazin-4-ium-1-yl]-phenyl-methanone Openeye Name: [4-(4-hydroxy-4,4-diphenyl-but-2-ynyl)piperazin-4-ium-1-yl]-phenyl-methanone CAS Name: [4-(4-hydroxy-4,4-diphenylbut-2-ynyl)-1-piperazin-4-iumyl]-phenylmethanone IUPAC Name: [4-(4-hydroxy-4,4-diphenylbut-2-ynyl)piperazin-4-ium-1-yl]-phenylmethanone Traditional Name: [4-(4-hydroxy-4,4-diphenyl-but-2-ynyl)piperazin-4-ium-1-yl]-phenyl-methanone Formula: C27H27N2O2+ MolecularWeight: 411.51548

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC#CC(C2=CC=CC=C2)(C3=CC=CC=C3)O)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC#CC(C2=CC=CC=C2)(C3=CC=CC=C3)O)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H26N2O2/c30-26(23-11-4-1-5-12-23)29-21-19-28(20-22-29)18-10-17-27(31,24-13-6-2-7-14-24)25-15-8-3-9-16-25/h1-9,11-16,31H,18-22H2/p+1