1-[[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-3-propan-2-yl-imidazolidine-2,4,5-trione

Systemtic Name: 1-[[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-3-propan-2-yl-imidazolidine-2,4,5-trione Openeye Name: 1-[[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-3-isopropyl-imidazolidine-2,4,5-trione CAS Name: 1-[[(2S)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidin-1-iumyl]methyl]-3-propan-2-ylimidazolidine-2,4,5-trione IUPAC Name: 1-[[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-3-propan-2-ylimidazolidine-2,4,5-trione Traditional Name: 1-[[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-3-isopropyl-imidazolidine-2,4,5-trione Formula: C18H21N4O3S+ MolecularWeight: 373.44934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C(=O)N(C1=O)C[NH+]2CCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C)N1C(=O)C(=O)N(C1=O)C[NH+]2CCC[C@H]2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H20N4O3S/c1-11(2)22-17(24)16(23)21(18(22)25)10-20-9-5-7-13(20)15-19-12-6-3-4-8-14(12)26-15/h3-4,6,8,11,13H,5,7,9-10H2,1-2H3/p+1/t13-/m0/s1