2-[(4-chlorophenyl)carbonyl-(4-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-azanium

Systemtic Name: 2-[(4-chlorophenyl)carbonyl-(4-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-azanium Openeye Name: 2-[(4-chlorobenzoyl)-(4-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-ammonium CAS Name: 2-[[(4-chlorophenyl)-oxomethyl]-(4-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-diethylammonium IUPAC Name: 2-[(4-chlorobenzoyl)-(4-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium Traditional Name: 2-[(4-chlorobenzoyl)-(4-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-ammonium Formula: C21H25ClN3O2S+ MolecularWeight: 418.9601

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(C1=NC2=C(C=CC=C2S1)OC)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC[NH+](CC)CCN(C1=NC2=C(C=CC=C2S1)OC)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H24ClN3O2S/c1-4-24(5-2)13-14-25(20(26)15-9-11-16(22)12-10-15)21-23-19-17(27-3)7-6-8-18(19)28-21/h6-12H,4-5,13-14H2,1-3H3/p+1