1-(2-methylpropyl)-3-propan-2-yl-pyrimido[2,1-b][1,3]benzothiazol-1-ium-2,4-dione

Systemtic Name: 1-(2-methylpropyl)-3-propan-2-yl-pyrimido[2,1-b][1,3]benzothiazol-1-ium-2,4-dione Openeye Name: 1-isobutyl-3-isopropyl-pyrimido[2,1-b][1,3]benzothiazol-1-ium-2,4-dione CAS Name: 1-(2-methylpropyl)-3-propan-2-ylpyrimido[2,1-b][1,3]benzothiazol-1-ium-2,4-dione IUPAC Name: 1-(2-methylpropyl)-3-propan-2-ylpyrimido[2,1-b][1,3]benzothiazol-1-ium-2,4-dione Traditional Name: 1-isobutyl-3-isopropyl-pyrimido[2,1-b][1,3]benzothiazol-1-ium-2,4-quinone Formula: C17H21N2O2S+ MolecularWeight: 317.42584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[N+]1=C2N(C3=CC=CC=C3S2)C(=O)C(C1=O)C(C)C

Isomeric SMILES

CC(C)C[N+]1=C2N(C3=CC=CC=C3S2)C(=O)C(C1=O)C(C)C

InChI

InChI=1S/C17H21N2O2S/c1-10(2)9-18-15(20)14(11(3)4)16(21)19-12-7-5-6-8-13(12)22-17(18)19/h5-8,10-11,14H,9H2,1-4H3/q+1