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

Systemtic Name: 1-[[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-methyl-indole-2,3-dione Openeye Name: 1-[[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-methyl-indoline-2,3-dione CAS Name: 1-[[(2R)-2-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]methyl]-5-methylindole-2,3-dione IUPAC Name: 1-[[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-methylindole-2,3-dione Traditional Name: 1-[[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-methyl-isatin Formula: C22H22N3O2S+ MolecularWeight: 392.49398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)C2=O)C[NH+]3CCCCC3C4=NC5=CC=CC=C5S4

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O2S/c1-14-9-10-17-15(12-14)20(26)22(27)25(17)13-24-11-5-4-7-18(24)21-23-16-6-2-3-8-19(16)28-21/h2-3,6,8-10,12,18H,4-5,7,11,13H2,1H3/p+1/t18-/m1/s1