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

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

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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)C)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O2S/c1-15-8-10-18(17(3)14-15)22(27)26(13-7-12-25(4)5)23-24-20-19(28-6)11-9-16(2)21(20)29-23/h8-11,14H,7,12-13H2,1-6H3/p+1