2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(3-phenoxypropanoyl)amino]ethyl-diethyl-azanium

Systemtic Name: 2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(3-phenoxypropanoyl)amino]ethyl-diethyl-azanium Openeye Name: 2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(3-phenoxypropanoyl)amino]ethyl-diethyl-ammonium CAS Name: 2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(1-oxo-3-phenoxypropyl)amino]ethyl-diethylammonium IUPAC Name: 2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(3-phenoxypropanoyl)amino]ethyl-diethylazanium Traditional Name: 2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(3-phenoxypropanoyl)amino]ethyl-diethyl-ammonium Formula: C24H32N3O2S+ MolecularWeight: 426.59478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(C1=NC2=C(S1)C=CC(=C2C)C)C(=O)CCOC3=CC=CC=C3

Isomeric SMILES

CC[NH+](CC)CCN(C1=NC2=C(S1)C=CC(=C2C)C)C(=O)CCOC3=CC=CC=C3

InChI

InChI=1S/C24H31N3O2S/c1-5-26(6-2)15-16-27(22(28)14-17-29-20-10-8-7-9-11-20)24-25-23-19(4)18(3)12-13-21(23)30-24/h7-13H,5-6,14-17H2,1-4H3/p+1