1-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-3-ethyl-imidazolidine-2,4,5-trione

Systemtic Name: 1-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-3-ethyl-imidazolidine-2,4,5-trione Openeye Name: 1-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-3-ethyl-imidazolidine-2,4,5-trione CAS Name: 1-[[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]methyl]-3-ethylimidazolidine-2,4,5-trione IUPAC Name: 1-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-3-ethylimidazolidine-2,4,5-trione Traditional Name: 1-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-3-ethyl-imidazolidine-2,4,5-trione Formula: C18H21N4O3S+ MolecularWeight: 373.44934

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=O)N(C1=O)C[NH+]2CCCC(C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCN1C(=O)C(=O)N(C1=O)C[NH+]2CCC[C@H](C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H20N4O3S/c1-2-21-16(23)17(24)22(18(21)25)11-20-9-5-6-12(10-20)15-19-13-7-3-4-8-14(13)26-15/h3-4,7-8,12H,2,5-6,9-11H2,1H3/p+1/t12-/m1/s1