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

Systemtic Name: (3S)-3-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione Openeye Name: (3S)-3-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione CAS Name: (3S)-3-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-3-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione Traditional Name: (3S)-3-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-quinone Formula: C23H24N3O3S+ MolecularWeight: 422.51996

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CCC(CC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C[C@@H](C2=O)[NH+]3CCC(CC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H23N3O3S/c1-29-17-8-6-16(7-9-17)26-21(27)14-19(23(26)28)25-12-10-15(11-13-25)22-24-18-4-2-3-5-20(18)30-22/h2-9,15,19H,10-14H2,1H3/p+1/t19-/m0/s1