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

Systemtic Name: 3-[(3,4-dimethylphenyl)carbonyl-(4-methoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(3,4-dimethylbenzoyl)-(4-methoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[(3,4-dimethylphenyl)-oxomethyl]-(4-methoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[(3,4-dimethylbenzoyl)-(4-methoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[(3,4-dimethylbenzoyl)-(4-methoxy-1,3-benzothiazol-2-yl)amino]propyl-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(CCC[NH+](C)C)C2=NC3=C(C=CC=C3S2)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O2S/c1-15-10-11-17(14-16(15)2)21(26)25(13-7-12-24(3)4)22-23-20-18(27-5)8-6-9-19(20)28-22/h6,8-11,14H,7,12-13H2,1-5H3/p+1