(3aS,7aS)-2-[[4-[2-(4-methyl-1,3-thiazol-2-yl)ethanoyl]piperazin-1-ium-1-yl]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: (3aS,7aS)-2-[[4-[2-(4-methyl-1,3-thiazol-2-yl)ethanoyl]piperazin-1-ium-1-yl]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: (3aS,7aS)-2-[[4-[2-(4-methylthiazol-2-yl)acetyl]piperazin-1-ium-1-yl]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: (3aS,7aS)-2-[[4-[2-(4-methyl-2-thiazolyl)-1-oxoethyl]-1-piperazin-1-iumyl]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: (3aS,7aS)-2-[[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]piperazin-1-ium-1-yl]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: (3aS,7aS)-2-[[4-[2-(4-methylthiazol-2-yl)acetyl]piperazin-1-ium-1-yl]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C19H25N4O3S+ MolecularWeight: 389.4918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)CC(=O)N2CC[NH+](CC2)CN3C(=O)C4CC=CCC4C3=O

Isomeric SMILES

CC1=CSC(=N1)CC(=O)N2CC[NH+](CC2)CN3C(=O)[C@H]4CC=CC[C@@H]4C3=O

InChI

InChI=1S/C19H24N4O3S/c1-13-11-27-16(20-13)10-17(24)22-8-6-21(7-9-22)12-23-18(25)14-4-2-3-5-15(14)19(23)26/h2-3,11,14-15H,4-10,12H2,1H3/p+1/t14-,15-/m0/s1