[5-(1,3-benzothiazol-2-yl)-2-[2-oxidanylidene-2-(pyridin-4-ylmethylamino)ethoxy]phenyl]methyl-dimethyl-azanium

Systemtic Name: [5-(1,3-benzothiazol-2-yl)-2-[2-oxidanylidene-2-(pyridin-4-ylmethylamino)ethoxy]phenyl]methyl-dimethyl-azanium Openeye Name: [5-(1,3-benzothiazol-2-yl)-2-[2-oxo-2-(4-pyridylmethylamino)ethoxy]phenyl]methyl-dimethyl-ammonium CAS Name: [5-(1,3-benzothiazol-2-yl)-2-[2-oxo-2-(pyridin-4-ylmethylamino)ethoxy]phenyl]methyl-dimethylammonium IUPAC Name: [5-(1,3-benzothiazol-2-yl)-2-[2-oxo-2-(pyridin-4-ylmethylamino)ethoxy]phenyl]methyl-dimethylazanium Traditional Name: [5-(1,3-benzothiazol-2-yl)-2-[2-keto-2-(4-pyridylmethylamino)ethoxy]benzyl]-dimethyl-ammonium Formula: C24H25N4O2S+ MolecularWeight: 433.5459

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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)NCC4=CC=NC=C4

Isomeric SMILES

C[NH+](C)CC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)OCC(=O)NCC4=CC=NC=C4

InChI

InChI=1S/C24H24N4O2S/c1-28(2)15-19-13-18(24-27-20-5-3-4-6-22(20)31-24)7-8-21(19)30-16-23(29)26-14-17-9-11-25-12-10-17/h3-13H,14-16H2,1-2H3,(H,26,29)/p+1