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

Systemtic Name: N-(3-cyanothiophen-2-yl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-cyano-2-thienyl)-2-[4-(1-naphthylmethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-cyano-2-thiophenyl)-2-[4-(1-naphthalenylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-cyanothiophen-2-yl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-cyano-2-thienyl)-2-[4-(1-naphthylmethyl)piperazin-1-ium-1-yl]acetamide Formula: C22H23N4OS+ MolecularWeight: 391.50922

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=C(C=CS2)C#N)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=C(C=CS2)C#N)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H22N4OS/c23-14-18-8-13-28-22(18)24-21(27)16-26-11-9-25(10-12-26)15-19-6-3-5-17-4-1-2-7-20(17)19/h1-8,13H,9-12,15-16H2,(H,24,27)/p+1