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

Systemtic Name: 2-[(4-chloranyl-1,3-benzothiazol-2-yl)-(2-methylphenyl)carbonyl-amino]ethyl-diethyl-azanium Openeye Name: 2-[(4-chloro-1,3-benzothiazol-2-yl)-(2-methylbenzoyl)amino]ethyl-diethyl-ammonium CAS Name: 2-[(4-chloro-1,3-benzothiazol-2-yl)-[(2-methylphenyl)-oxomethyl]amino]ethyl-diethylammonium IUPAC Name: 2-[(4-chloro-1,3-benzothiazol-2-yl)-(2-methylbenzoyl)amino]ethyl-diethylazanium Traditional Name: 2-[(4-chloro-1,3-benzothiazol-2-yl)-o-toluoyl-amino]ethyl-diethyl-ammonium Formula: C21H25ClN3OS+ MolecularWeight: 402.9607

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(C1=NC2=C(S1)C=CC=C2Cl)C(=O)C3=CC=CC=C3C

Isomeric SMILES

CC[NH+](CC)CCN(C1=NC2=C(S1)C=CC=C2Cl)C(=O)C3=CC=CC=C3C

InChI

InChI=1S/C21H24ClN3OS/c1-4-24(5-2)13-14-25(20(26)16-10-7-6-9-15(16)3)21-23-19-17(22)11-8-12-18(19)27-21/h6-12H,4-5,13-14H2,1-3H3/p+1