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

Systemtic Name: (3S)-3-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-cyclopropyl-pyrrolidine-2,5-dione Openeye Name: (3S)-3-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-cyclopropyl-pyrrolidine-2,5-dione CAS Name: (3S)-3-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-1-cyclopropylpyrrolidine-2,5-dione IUPAC Name: (3S)-3-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-cyclopropylpyrrolidine-2,5-dione Traditional Name: (3S)-3-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-cyclopropyl-pyrrolidine-2,5-quinone Formula: C19H22N3O2S+ MolecularWeight: 356.46188

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=O)CC(C2=O)[NH+]3CCC(CC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CC1N2C(=O)C[C@@H](C2=O)[NH+]3CCC(CC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C19H21N3O2S/c23-17-11-15(19(24)22(17)13-5-6-13)21-9-7-12(8-10-21)18-20-14-3-1-2-4-16(14)25-18/h1-4,12-13,15H,5-11H2/p+1/t15-/m0/s1