trimethyl-[3-[(4E)-4-[(6-nitro-1,3-benzothiazol-2-yl)methylidene]pyrimidin-1-yl]propyl]azanium

Systemtic Name: trimethyl-[3-[(4E)-4-[(6-nitro-1,3-benzothiazol-2-yl)methylidene]pyrimidin-1-yl]propyl]azanium Openeye Name: trimethyl-[3-[(4E)-4-[(6-nitro-1,3-benzothiazol-2-yl)methylene]pyrimidin-1-yl]propyl]ammonium CAS Name: trimethyl-[3-[(4E)-4-[(6-nitro-1,3-benzothiazol-2-yl)methylidene]-1-pyrimidinyl]propyl]ammonium IUPAC Name: trimethyl-[3-[(4E)-4-[(6-nitro-1,3-benzothiazol-2-yl)methylidene]pyrimidin-1-yl]propyl]azanium Traditional Name: trimethyl-[3-[(4E)-4-[(6-nitro-1,3-benzothiazol-2-yl)methylene]pyrimidin-1-yl]propyl]ammonium Formula: C18H22N5O2S+ MolecularWeight: 372.46458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCCN1C=CC(=CC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])N=C1

Isomeric SMILES

C[N+](C)(C)CCCN1C=C/C(=C\C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])/N=C1

InChI

InChI=1S/C18H22N5O2S/c1-23(2,3)10-4-8-21-9-7-14(19-13-21)11-18-20-16-6-5-15(22(24)25)12-17(16)26-18/h5-7,9,11-13H,4,8,10H2,1-3H3/q+1/b14-11+