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

Systemtic Name: 1-[[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-3-cyclopentyl-imidazolidine-2,4,5-trione Openeye Name: 1-[[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-3-cyclopentyl-imidazolidine-2,4,5-trione CAS Name: 1-[[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]methyl]-3-cyclopentylimidazolidine-2,4,5-trione IUPAC Name: 1-[[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-3-cyclopentylimidazolidine-2,4,5-trione Traditional Name: 1-[[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-3-cyclopentyl-imidazolidine-2,4,5-trione Formula: C21H25N4O3S+ MolecularWeight: 413.5132

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=O)C(=O)N(C2=O)C[NH+]3CCCC(C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CCC(C1)N2C(=O)C(=O)N(C2=O)C[NH+]3CCC[C@@H](C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H24N4O3S/c26-19-20(27)25(15-7-1-2-8-15)21(28)24(19)13-23-11-5-6-14(12-23)18-22-16-9-3-4-10-17(16)29-18/h3-4,9-10,14-15H,1-2,5-8,11-13H2/p+1/t14-/m0/s1