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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)OC)N=C(S2)N(CCC[NH+](C)C)C(=O)C3=CC(=CC=C3)C

Isomeric SMILES

CC1=C2C(=C(C=C1)OC)N=C(S2)N(CCC[NH+](C)C)C(=O)C3=CC(=CC=C3)C

InChI

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