2-(1-methylpyridin-1-ium-4-yl)benzo[f][1,3]benzothiazole-4,9-dione

Systemtic Name: 2-(1-methylpyridin-1-ium-4-yl)benzo[f][1,3]benzothiazole-4,9-dione Openeye Name: 2-(1-methylpyridin-1-ium-4-yl)benzo[f][1,3]benzothiazole-4,9-dione CAS Name: 2-(1-methyl-4-pyridin-1-iumyl)benzo[f][1,3]benzothiazole-4,9-dione IUPAC Name: 2-(1-methylpyridin-1-ium-4-yl)benzo[f][1,3]benzothiazole-4,9-dione Traditional Name: 2-(1-methylpyridin-1-ium-4-yl)benzo[f][1,3]benzothiazole-4,9-quinone Formula: C17H11N2O2S+ MolecularWeight: 307.34644

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C2=NC3=C(S2)C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C[N+]1=CC=C(C=C1)C2=NC3=C(S2)C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C17H11N2O2S/c1-19-8-6-10(7-9-19)17-18-13-14(20)11-4-2-3-5-12(11)15(21)16(13)22-17/h2-9H,1H3/q+1