3-[1,3-benzothiazol-2-yl(5,6,7,8-tetrahydronaphthalen-2-ylcarbonyl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[1,3-benzothiazol-2-yl(5,6,7,8-tetrahydronaphthalen-2-ylcarbonyl)amino]propyl-dimethyl-azanium Openeye Name: 3-[1,3-benzothiazol-2-yl(tetralin-6-carbonyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[1,3-benzothiazol-2-yl-[oxo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]amino]propyl-dimethylammonium IUPAC Name: 3-[1,3-benzothiazol-2-yl(5,6,7,8-tetrahydronaphthalene-2-carbonyl)amino]propyl-dimethylazanium Traditional Name: 3-[1,3-benzothiazol-2-yl(tetralin-6-carbonyl)amino]propyl-dimethyl-ammonium Formula: C23H28N3OS+ MolecularWeight: 394.55292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(C1=NC2=CC=CC=C2S1)C(=O)C3=CC4=C(CCCC4)C=C3

Isomeric SMILES

C[NH+](C)CCCN(C1=NC2=CC=CC=C2S1)C(=O)C3=CC4=C(CCCC4)C=C3

InChI

InChI=1S/C23H27N3OS/c1-25(2)14-7-15-26(23-24-20-10-5-6-11-21(20)28-23)22(27)19-13-12-17-8-3-4-9-18(17)16-19/h5-6,10-13,16H,3-4,7-9,14-15H2,1-2H3/p+1