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

Systemtic Name: (3R)-3-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-methyl-pyrrolidine-2,5-dione Openeye Name: (3R)-3-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-methyl-pyrrolidine-2,5-dione CAS Name: (3R)-3-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-1-methylpyrrolidine-2,5-dione IUPAC Name: (3R)-3-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-methylpyrrolidine-2,5-dione Traditional Name: (3R)-3-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-methyl-pyrrolidine-2,5-quinone Formula: C17H20N3O2S+ MolecularWeight: 330.4246

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CC(C1=O)[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CN1C(=O)C[C@H](C1=O)[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C17H19N3O2S/c1-19-15(21)10-13(17(19)22)20-8-6-11(7-9-20)16-18-12-4-2-3-5-14(12)23-16/h2-5,11,13H,6-10H2,1H3/p+1/t13-/m1/s1