1-(cyclobutylmethyl)-3-ethyl-pyrimido[2,1-b][1,3]benzothiazol-1-ium-2,4-dione

Systemtic Name: 1-(cyclobutylmethyl)-3-ethyl-pyrimido[2,1-b][1,3]benzothiazol-1-ium-2,4-dione Openeye Name: 1-(cyclobutylmethyl)-3-ethyl-pyrimido[2,1-b][1,3]benzothiazol-1-ium-2,4-dione CAS Name: 1-(cyclobutylmethyl)-3-ethylpyrimido[2,1-b][1,3]benzothiazol-1-ium-2,4-dione IUPAC Name: 1-(cyclobutylmethyl)-3-ethylpyrimido[2,1-b][1,3]benzothiazol-1-ium-2,4-dione Traditional Name: 1-(cyclobutylmethyl)-3-ethyl-pyrimido[2,1-b][1,3]benzothiazol-1-ium-2,4-quinone Formula: C17H19N2O2S+ MolecularWeight: 315.40996

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N2C3=CC=CC=C3SC2=[N+](C1=O)CC4CCC4

Isomeric SMILES

CCC1C(=O)N2C3=CC=CC=C3SC2=[N+](C1=O)CC4CCC4

InChI

InChI=1S/C17H19N2O2S/c1-2-12-15(20)18(10-11-6-5-7-11)17-19(16(12)21)13-8-3-4-9-14(13)22-17/h3-4,8-9,11-12H,2,5-7,10H2,1H3/q+1