1-benzothiophen-3-yl-[4-(diphenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: 1-benzothiophen-3-yl-[4-(diphenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(benzothiophen-3-yl)methanone CAS Name: 1-benzothiophen-3-yl-[4-(diphenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(1-benzothiophen-3-yl)methanone Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(benzothiophen-3-yl)methanone Formula: C26H25N2OS+ MolecularWeight: 413.5545

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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=CSC5=CC=CC=C54

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CSC5=CC=CC=C54

InChI

InChI=1S/C26H24N2OS/c29-26(23-19-30-24-14-8-7-13-22(23)24)28-17-15-27(16-18-28)25(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,19,25H,15-18H2/p+1