[5-(1,3-benzothiazol-2-yl)-2-[2-oxidanylidene-2-(2-pyridin-2-ylethylamino)ethoxy]phenyl]methyl-dimethyl-azanium

Systemtic Name: [5-(1,3-benzothiazol-2-yl)-2-[2-oxidanylidene-2-(2-pyridin-2-ylethylamino)ethoxy]phenyl]methyl-dimethyl-azanium Openeye Name: [5-(1,3-benzothiazol-2-yl)-2-[2-oxo-2-[2-(2-pyridyl)ethylamino]ethoxy]phenyl]methyl-dimethyl-ammonium CAS Name: [5-(1,3-benzothiazol-2-yl)-2-[2-oxo-2-[2-(2-pyridinyl)ethylamino]ethoxy]phenyl]methyl-dimethylammonium IUPAC Name: [5-(1,3-benzothiazol-2-yl)-2-[2-oxo-2-(2-pyridin-2-ylethylamino)ethoxy]phenyl]methyl-dimethylazanium Traditional Name: [5-(1,3-benzothiazol-2-yl)-2-[2-keto-2-[2-(2-pyridyl)ethylamino]ethoxy]benzyl]-dimethyl-ammonium Formula: C25H27N4O2S+ MolecularWeight: 447.57248

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)OCC(=O)NCCC4=CC=CC=N4

Isomeric SMILES

C[NH+](C)CC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)OCC(=O)NCCC4=CC=CC=N4

InChI

InChI=1S/C25H26N4O2S/c1-29(2)16-19-15-18(25-28-21-8-3-4-9-23(21)32-25)10-11-22(19)31-17-24(30)27-14-12-20-7-5-6-13-26-20/h3-11,13,15H,12,14,16-17H2,1-2H3,(H,27,30)/p+1