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

Systemtic Name: 2-[2-(2,4-dimethylphenyl)ethanoyl-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[[2-(2,4-dimethylphenyl)acetyl]-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[2-(2,4-dimethylphenyl)-1-oxoethyl]-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[[2-(2,4-dimethylphenyl)acetyl]-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[[2-(2,4-dimethylphenyl)acetyl]-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium Formula: C23H30N3O2S+ MolecularWeight: 412.5682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O2S/c1-15-7-9-18(17(3)13-15)14-20(27)26(12-11-25(4)5)23-24-21-19(28-6)10-8-16(2)22(21)29-23/h7-10,13H,11-12,14H2,1-6H3/p+1