N-(3-cyanothiophen-2-yl)-2-[4-(diphenylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-cyanothiophen-2-yl)-2-[4-(diphenylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzhydrylpiperazin-1-ium-1-yl)-N-(3-cyano-2-thienyl)acetamide CAS Name: N-(3-cyano-2-thiophenyl)-2-[4-(diphenylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-(4-benzhydrylpiperazin-1-ium-1-yl)-N-(3-cyanothiophen-2-yl)acetamide Traditional Name: 2-(4-benzhydrylpiperazin-1-ium-1-yl)-N-(3-cyano-2-thienyl)acetamide Formula: C24H25N4OS+ MolecularWeight: 417.5465

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=C(C=CS2)C#N)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=C(C=CS2)C#N)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H24N4OS/c25-17-21-11-16-30-24(21)26-22(29)18-27-12-14-28(15-13-27)23(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-11,16,23H,12-15,18H2,(H,26,29)/p+1