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

Systemtic Name: [5-(1,3-benzothiazol-2-yl)-2-[2-(cycloheptylamino)-2-oxidanylidene-ethoxy]phenyl]methyl-dimethyl-azanium Openeye Name: [5-(1,3-benzothiazol-2-yl)-2-[2-(cycloheptylamino)-2-oxo-ethoxy]phenyl]methyl-dimethyl-ammonium CAS Name: [5-(1,3-benzothiazol-2-yl)-2-[2-(cycloheptylamino)-2-oxoethoxy]phenyl]methyl-dimethylammonium IUPAC Name: [5-(1,3-benzothiazol-2-yl)-2-[2-(cycloheptylamino)-2-oxoethoxy]phenyl]methyl-dimethylazanium Traditional Name: [5-(1,3-benzothiazol-2-yl)-2-[2-(cycloheptylamino)-2-keto-ethoxy]benzyl]-dimethyl-ammonium Formula: C25H32N3O2S+ MolecularWeight: 438.60548

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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)NC4CCCCCC4

Isomeric SMILES

C[NH+](C)CC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)OCC(=O)NC4CCCCCC4

InChI

InChI=1S/C25H31N3O2S/c1-28(2)16-19-15-18(25-27-21-11-7-8-12-23(21)31-25)13-14-22(19)30-17-24(29)26-20-9-5-3-4-6-10-20/h7-8,11-15,20H,3-6,9-10,16-17H2,1-2H3,(H,26,29)/p+1