2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-(2-phenylethanoyl)amino]ethyl-diethyl-azanium

Systemtic Name: 2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-(2-phenylethanoyl)amino]ethyl-diethyl-azanium Openeye Name: 2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-(2-phenylacetyl)amino]ethyl-diethyl-ammonium CAS Name: 2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-(1-oxo-2-phenylethyl)amino]ethyl-diethylammonium IUPAC Name: 2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-(2-phenylacetyl)amino]ethyl-diethylazanium Traditional Name: 2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-(2-phenylacetyl)amino]ethyl-diethyl-ammonium Formula: C23H30N3OS+ MolecularWeight: 396.5688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(C1=NC2=C(S1)C=C(C(=C2)C)C)C(=O)CC3=CC=CC=C3

Isomeric SMILES

CC[NH+](CC)CCN(C1=NC2=C(S1)C=C(C(=C2)C)C)C(=O)CC3=CC=CC=C3

InChI

InChI=1S/C23H29N3OS/c1-5-25(6-2)12-13-26(22(27)16-19-10-8-7-9-11-19)23-24-20-14-17(3)18(4)15-21(20)28-23/h7-11,14-15H,5-6,12-13,16H2,1-4H3/p+1