(3S)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-piperidin-1-ium-1-yl-pyrrolidine-2,5-dione

Systemtic Name: (3S)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-piperidin-1-ium-1-yl-pyrrolidine-2,5-dione Openeye Name: (3S)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-piperidin-1-ium-1-yl-pyrrolidine-2,5-dione CAS Name: (3S)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(1-piperidin-1-iumyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-piperidin-1-ium-1-ylpyrrolidine-2,5-dione Traditional Name: (3S)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-piperidin-1-ium-1-yl-pyrrolidine-2,5-quinone Formula: C23H24N3O2S+ MolecularWeight: 406.52056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N4C(=O)CC(C4=O)[NH+]5CCCCC5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N4C(=O)C[C@@H](C4=O)[NH+]5CCCCC5

InChI

InChI=1S/C23H23N3O2S/c1-15-5-10-18-20(13-15)29-22(24-18)16-6-8-17(9-7-16)26-21(27)14-19(23(26)28)25-11-3-2-4-12-25/h5-10,13,19H,2-4,11-12,14H2,1H3/p+1/t19-/m0/s1