N-phenethyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-(thiophen-2-ylmethyl)ethanamide

Systemtic Name: N-phenethyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: N-phenethyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-(2-thienylmethyl)acetamide CAS Name: N-phenethyl-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: N-phenethyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-(thiophen-2-ylmethyl)acetamide Traditional Name: N-phenethyl-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]-N-(2-thenyl)acetamide Formula: C23H28N5OS+ MolecularWeight: 422.56632

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N(CCC2=CC=CC=C2)CC3=CC=CS3)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N(CCC2=CC=CC=C2)CC3=CC=CS3)C4=NC=CC=N4

InChI

InChI=1S/C23H27N5OS/c29-22(19-26-13-15-27(16-14-26)23-24-10-5-11-25-23)28(18-21-8-4-17-30-21)12-9-20-6-2-1-3-7-20/h1-8,10-11,17H,9,12-16,18-19H2/p+1