3-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-5,5-diphenyl-imidazolidine-2,4-dione

Systemtic Name: 3-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-5,5-diphenyl-imidazolidine-2,4-dione Openeye Name: 3-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-5,5-diphenyl-imidazolidine-2,4-dione CAS Name: 3-[[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]methyl]-5,5-diphenylimidazolidine-2,4-dione IUPAC Name: 3-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione Traditional Name: 3-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-5,5-diphenyl-hydantoin Formula: C28H27N4O2S+ MolecularWeight: 483.60458

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CN4C(=O)C(NC4=O)(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CN4C(=O)C(NC4=O)(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C28H26N4O2S/c33-26-28(21-9-3-1-4-10-21,22-11-5-2-6-12-22)30-27(34)32(26)19-31-17-15-20(16-18-31)25-29-23-13-7-8-14-24(23)35-25/h1-14,20H,15-19H2,(H,30,34)/p+1