2-[(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-(2,4-dimethylphenyl)carbonyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-(2,4-dimethylphenyl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-(2,4-dimethylbenzoyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-[(2,4-dimethylphenyl)-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-(2,4-dimethylbenzoyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-(2,4-dimethylbenzoyl)amino]ethyl-dimethyl-ammonium Formula: C21H25ClN3O2S+ MolecularWeight: 418.9601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)N(CC[NH+](C)C)C2=NC3=C(C=CC(=C3S2)Cl)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)N(CC[NH+](C)C)C2=NC3=C(C=CC(=C3S2)Cl)OC)C

InChI

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