[3-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylazaniumyl]-2,2-dimethyl-propyl]-dimethyl-azanium

Systemtic Name: [3-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylazaniumyl]-2,2-dimethyl-propyl]-dimethyl-azanium Openeye Name: [3-[[5-(1,3-benzothiazol-2-yl)-2-furyl]methylammonio]-2,2-dimethyl-propyl]-dimethyl-ammonium CAS Name: [3-[[5-(1,3-benzothiazol-2-yl)-2-furanyl]methylammonio]-2,2-dimethylpropyl]-dimethylammonium IUPAC Name: [3-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylazaniumyl]-2,2-dimethylpropyl]-dimethylazanium Traditional Name: [3-[[5-(1,3-benzothiazol-2-yl)-2-furyl]methylammonio]-2,2-dimethyl-propyl]-dimethyl-ammonium Formula: C19H27N3OS+2 MolecularWeight: 345.50218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C[NH2+]CC1=CC=C(O1)C2=NC3=CC=CC=C3S2)C[NH+](C)C

Isomeric SMILES

CC(C)(C[NH2+]CC1=CC=C(O1)C2=NC3=CC=CC=C3S2)C[NH+](C)C

InChI

InChI=1S/C19H25N3OS/c1-19(2,13-22(3)4)12-20-11-14-9-10-16(23-14)18-21-15-7-5-6-8-17(15)24-18/h5-10,20H,11-13H2,1-4H3/p+2