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

Systemtic Name: (3S)-3-[4-(1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]-1-methyl-pyrrolidine-2,5-dione Openeye Name: (3S)-3-[4-(1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]-1-methyl-pyrrolidine-2,5-dione CAS Name: (3S)-3-[4-(1,3-benzothiazol-2-yl)-1-piperazin-1-iumyl]-1-methylpyrrolidine-2,5-dione IUPAC Name: (3S)-3-[4-(1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]-1-methylpyrrolidine-2,5-dione Traditional Name: (3S)-3-[4-(1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]-1-methyl-pyrrolidine-2,5-quinone Formula: C16H19N4O2S+ MolecularWeight: 331.41266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O2S/c1-18-14(21)10-12(15(18)22)19-6-8-20(9-7-19)16-17-11-4-2-3-5-13(11)23-16/h2-5,12H,6-10H2,1H3/p+1/t12-/m0/s1