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

Systemtic Name: N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-(2-thienylmethyl)acetamide CAS Name: N-methyl-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-(thiophen-2-ylmethyl)acetamide Traditional Name: N-methyl-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]-N-(2-thenyl)acetamide Formula: C16H22N5OS+ MolecularWeight: 332.44378

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CS1)C(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CN(CC1=CC=CS1)C(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C16H21N5OS/c1-19(12-14-4-2-11-23-14)15(22)13-20-7-9-21(10-8-20)16-17-5-3-6-18-16/h2-6,11H,7-10,12-13H2,1H3/p+1