2-[(6-chloranyl-1,3-benzothiazol-2-yl)-(4-phenoxyphenyl)carbonyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(6-chloranyl-1,3-benzothiazol-2-yl)-(4-phenoxyphenyl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[(6-chloro-1,3-benzothiazol-2-yl)-(4-phenoxybenzoyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(6-chloro-1,3-benzothiazol-2-yl)-[oxo-(4-phenoxyphenyl)methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(6-chloro-1,3-benzothiazol-2-yl)-(4-phenoxybenzoyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(6-chloro-1,3-benzothiazol-2-yl)-(4-phenoxybenzoyl)amino]ethyl-dimethyl-ammonium Formula: C24H23ClN3O2S+ MolecularWeight: 452.97632

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(C1=NC2=C(S1)C=C(C=C2)Cl)C(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

C[NH+](C)CCN(C1=NC2=C(S1)C=C(C=C2)Cl)C(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C24H22ClN3O2S/c1-27(2)14-15-28(24-26-21-13-10-18(25)16-22(21)31-24)23(29)17-8-11-20(12-9-17)30-19-6-4-3-5-7-19/h3-13,16H,14-15H2,1-2H3/p+1