1-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-5-methyl-indole-2,3-dione

Systemtic Name: 1-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-5-methyl-indole-2,3-dione Openeye Name: 1-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-5-methyl-indoline-2,3-dione CAS Name: 1-[[(2R)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidin-1-iumyl]methyl]-5-methylindole-2,3-dione IUPAC Name: 1-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-5-methylindole-2,3-dione Traditional Name: 1-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-5-methyl-isatin Formula: C21H20N3O2S+ MolecularWeight: 378.4674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)C2=O)C[NH+]3CCCC3C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)C2=O)C[NH+]3CCC[C@@H]3C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H19N3O2S/c1-13-8-9-16-14(11-13)19(25)21(26)24(16)12-23-10-4-6-17(23)20-22-15-5-2-3-7-18(15)27-20/h2-3,5,7-9,11,17H,4,6,10,12H2,1H3/p+1/t17-/m1/s1