4-phenyl-4-(phenylmethyl)-N-(3-pyrrol-1-ylthiophen-2-yl)piperazin-4-ium-1-carboxamide

Systemtic Name: 4-phenyl-4-(phenylmethyl)-N-(3-pyrrol-1-ylthiophen-2-yl)piperazin-4-ium-1-carboxamide Openeye Name: 4-benzyl-4-phenyl-N-(3-pyrrol-1-yl-2-thienyl)piperazin-4-ium-1-carboxamide CAS Name: 4-phenyl-4-(phenylmethyl)-N-[3-(1-pyrrolyl)-2-thiophenyl]-1-piperazin-4-iumcarboxamide IUPAC Name: 4-benzyl-4-phenyl-N-(3-pyrrol-1-ylthiophen-2-yl)piperazin-4-ium-1-carboxamide Traditional Name: 4-benzyl-4-phenyl-N-(3-pyrrol-1-yl-2-thienyl)piperazin-4-ium-1-carboxamide Formula: C26H27N4OS+ MolecularWeight: 443.58378

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCN1C(=O)NC2=C(C=CS2)N3C=CC=C3)(CC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1C[N+](CCN1C(=O)NC2=C(C=CS2)N3C=CC=C3)(CC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H26N4OS/c31-26(27-25-24(13-20-32-25)28-14-7-8-15-28)29-16-18-30(19-17-29,23-11-5-2-6-12-23)21-22-9-3-1-4-10-22/h1-15,20H,16-19,21H2/p+1