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

Systemtic Name: [5-(1,3-benzothiazol-2-yl)-2-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethoxy]phenyl]methyl-dimethyl-azanium Openeye Name: [5-(1,3-benzothiazol-2-yl)-2-[2-(2-furylmethylamino)-2-oxo-ethoxy]phenyl]methyl-dimethyl-ammonium CAS Name: [5-(1,3-benzothiazol-2-yl)-2-[2-(2-furanylmethylamino)-2-oxoethoxy]phenyl]methyl-dimethylammonium IUPAC Name: [5-(1,3-benzothiazol-2-yl)-2-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]methyl-dimethylazanium Traditional Name: [5-(1,3-benzothiazol-2-yl)-2-[2-(2-furfurylamino)-2-keto-ethoxy]benzyl]-dimethyl-ammonium Formula: C23H24N3O3S+ MolecularWeight: 422.51996

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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=CO4

Isomeric SMILES

C[NH+](C)CC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)OCC(=O)NCC4=CC=CO4

InChI

InChI=1S/C23H23N3O3S/c1-26(2)14-17-12-16(23-25-19-7-3-4-8-21(19)30-23)9-10-20(17)29-15-22(27)24-13-18-6-5-11-28-18/h3-12H,13-15H2,1-2H3,(H,24,27)/p+1