2-[(4-chloranyl-1,3-benzothiazol-2-yl)-(2,5-dimethylphenyl)carbonyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(4-chloranyl-1,3-benzothiazol-2-yl)-(2,5-dimethylphenyl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[(4-chloro-1,3-benzothiazol-2-yl)-(2,5-dimethylbenzoyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(4-chloro-1,3-benzothiazol-2-yl)-[(2,5-dimethylphenyl)-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(4-chloro-1,3-benzothiazol-2-yl)-(2,5-dimethylbenzoyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(4-chloro-1,3-benzothiazol-2-yl)-(2,5-dimethylbenzoyl)amino]ethyl-dimethyl-ammonium Formula: C20H23ClN3OS+ MolecularWeight: 388.93412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)N(CC[NH+](C)C)C2=NC3=C(S2)C=CC=C3Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)N(CC[NH+](C)C)C2=NC3=C(S2)C=CC=C3Cl

InChI

InChI=1S/C20H22ClN3OS/c1-13-8-9-14(2)15(12-13)19(25)24(11-10-23(3)4)20-22-18-16(21)6-5-7-17(18)26-20/h5-9,12H,10-11H2,1-4H3/p+1