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

Systemtic Name: 3-[(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-(4-methylphenyl)carbonyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-(4-methylbenzoyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-[(4-methylphenyl)-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-(4-methylbenzoyl)amino]propyl-dimethylazanium Traditional Name: 3-[(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-p-toluoyl-amino]propyl-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(CCC[NH+](C)C)C2=NC3=C(C=CC(=C3S2)Cl)OC

Isomeric SMILES

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

InChI

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