3-(nitromethyl)-[1,3]benzothiazolo[3,2-a]quinolin-12-ium

Systemtic Name: 3-(nitromethyl)-[1,3]benzothiazolo[3,2-a]quinolin-12-ium Openeye Name: 3-(nitromethyl)-[1,3]benzothiazolo[3,2-a]quinolin-12-ium CAS Name: 3-(nitromethyl)-[1,3]benzothiazolo[3,2-a]quinolin-12-ium IUPAC Name: 3-(nitromethyl)-[1,3]benzothiazolo[3,2-a]quinolin-12-ium Traditional Name: 3-(nitromethyl)-[1,3]benzothiazolo[3,2-a]quinolin-12-ium Formula: C16H11N2O2S+ MolecularWeight: 295.33574

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)[N+]3=C(S2)C=CC4=C3C=CC(=C4)C[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)[N+]3=C(S2)C=CC4=C3C=CC(=C4)C[N+](=O)[O-]

InChI

InChI=1S/C16H11N2O2S/c19-17(20)10-11-5-7-13-12(9-11)6-8-16-18(13)14-3-1-2-4-15(14)21-16/h1-9H,10H2/q+1