N-methyl-2-[(2S)-3-oxidanylidene-1-(thiophen-2-ylmethyl)piperazin-1-ium-2-yl]-N-(pyrazin-2-ylmethyl)ethanamide

Systemtic Name: N-methyl-2-[(2S)-3-oxidanylidene-1-(thiophen-2-ylmethyl)piperazin-1-ium-2-yl]-N-(pyrazin-2-ylmethyl)ethanamide Openeye Name: N-methyl-2-[(2S)-3-oxo-1-(2-thienylmethyl)piperazin-1-ium-2-yl]-N-(pyrazin-2-ylmethyl)acetamide CAS Name: N-methyl-2-[(2S)-3-oxo-1-(thiophen-2-ylmethyl)-2-piperazin-1-iumyl]-N-(2-pyrazinylmethyl)acetamide IUPAC Name: N-methyl-2-[(2S)-3-oxo-1-(thiophen-2-ylmethyl)piperazin-1-ium-2-yl]-N-(pyrazin-2-ylmethyl)acetamide Traditional Name: 2-[(2S)-3-keto-1-(2-thenyl)piperazin-1-ium-2-yl]-N-methyl-N-(pyrazin-2-ylmethyl)acetamide Formula: C17H22N5O2S+ MolecularWeight: 360.45388

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC=CN=C1)C(=O)CC2C(=O)NCC[NH+]2CC3=CC=CS3

Isomeric SMILES

CN(CC1=NC=CN=C1)C(=O)C[C@H]2C(=O)NCC[NH+]2CC3=CC=CS3

InChI

InChI=1S/C17H21N5O2S/c1-21(11-13-10-18-4-5-19-13)16(23)9-15-17(24)20-6-7-22(15)12-14-3-2-8-25-14/h2-5,8,10,15H,6-7,9,11-12H2,1H3,(H,20,24)/p+1/t15-/m0/s1