1,3-dimethyl-7-nitro-pyrido[2,1-b][1,3]benzothiazol-10-ium

Systemtic Name: 1,3-dimethyl-7-nitro-pyrido[2,1-b][1,3]benzothiazol-10-ium Openeye Name: 1,3-dimethyl-7-nitro-pyrido[2,1-b][1,3]benzothiazol-10-ium CAS Name: 1,3-dimethyl-7-nitropyrido[2,1-b][1,3]benzothiazol-10-ium IUPAC Name: 1,3-dimethyl-7-nitropyrido[2,1-b][1,3]benzothiazol-10-ium Traditional Name: 1,3-dimethyl-7-nitro-pyrido[2,1-b][1,3]benzothiazol-10-ium Formula: C13H11N2O2S+ MolecularWeight: 259.30364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+]2C3=C(C=C(C=C3)[N+](=O)[O-])SC2=C1)C

Isomeric SMILES

CC1=CC(=[N+]2C3=C(C=C(C=C3)[N+](=O)[O-])SC2=C1)C

InChI

InChI=1S/C13H11N2O2S/c1-8-5-9(2)14-11-4-3-10(15(16)17)7-12(11)18-13(14)6-8/h3-7H,1-2H3/q+1