N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-2-[(2R)-3-oxidanylidene-1-propan-2-yl-piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-2-[(2R)-3-oxidanylidene-1-propan-2-yl-piperazin-1-ium-2-yl]ethanamide Openeye Name: N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-[(2R)-1-isopropyl-3-oxo-piperazin-1-ium-2-yl]-N-methyl-acetamide CAS Name: N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-2-[(2R)-3-oxo-1-propan-2-yl-2-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-1-ium-2-yl]acetamide Traditional Name: 2-[(2R)-1-isopropyl-3-keto-piperazin-1-ium-2-yl]-N-methyl-N-(piazthiol-5-ylmethyl)acetamide Formula: C17H24N5O2S+ MolecularWeight: 362.46976

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCNC(=O)C1CC(=O)N(C)CC2=CC3=NSN=C3C=C2

Isomeric SMILES

CC(C)[NH+]1CCNC(=O)[C@H]1CC(=O)N(C)CC2=CC3=NSN=C3C=C2

InChI

InChI=1S/C17H23N5O2S/c1-11(2)22-7-6-18-17(24)15(22)9-16(23)21(3)10-12-4-5-13-14(8-12)20-25-19-13/h4-5,8,11,15H,6-7,9-10H2,1-3H3,(H,18,24)/p+1/t15-/m1/s1