N-(2-imidazol-1-ylethyl)-N-methyl-2-[(2R)-3-oxidanylidene-1-(thiophen-2-ylmethyl)piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-(2-imidazol-1-ylethyl)-N-methyl-2-[(2R)-3-oxidanylidene-1-(thiophen-2-ylmethyl)piperazin-1-ium-2-yl]ethanamide Openeye Name: N-(2-imidazol-1-ylethyl)-N-methyl-2-[(2R)-3-oxo-1-(2-thienylmethyl)piperazin-1-ium-2-yl]acetamide CAS Name: N-[2-(1-imidazolyl)ethyl]-N-methyl-2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)-2-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-imidazol-1-ylethyl)-N-methyl-2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)piperazin-1-ium-2-yl]acetamide Traditional Name: N-(2-imidazol-1-ylethyl)-2-[(2R)-3-keto-1-(2-thenyl)piperazin-1-ium-2-yl]-N-methyl-acetamide Formula: C17H24N5O2S+ MolecularWeight: 362.46976

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCN1C=CN=C1)C(=O)CC2C(=O)NCC[NH+]2CC3=CC=CS3

Isomeric SMILES

CN(CCN1C=CN=C1)C(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC=CS3

InChI

InChI=1S/C17H23N5O2S/c1-20(8-9-21-6-4-18-13-21)16(23)11-15-17(24)19-5-7-22(15)12-14-3-2-10-25-14/h2-4,6,10,13,15H,5,7-9,11-12H2,1H3,(H,19,24)/p+1/t15-/m1/s1