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

Systemtic Name: 2-[(3,4-dimethylphenyl)carbonyl-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(3,4-dimethylbenzoyl)-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(3,4-dimethylphenyl)-oxomethyl]-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[(3,4-dimethylbenzoyl)-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[(3,4-dimethylbenzoyl)-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium Formula: C22H28N3O2S+ MolecularWeight: 398.54162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O2S/c1-14-7-9-17(13-16(14)3)21(26)25(12-11-24(4)5)22-23-19-18(27-6)10-8-15(2)20(19)28-22/h7-10,13H,11-12H2,1-6H3/p+1