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

Systemtic Name: 3-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-(2-methylphenyl)carbonyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-(2-methylbenzoyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-[(2-methylphenyl)-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-(2-methylbenzoyl)amino]propyl-dimethylazanium Traditional Name: 3-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-o-toluoyl-amino]propyl-dimethyl-ammonium Formula: C22H28N3O3S+ MolecularWeight: 414.54102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N(CCC[NH+](C)C)C2=NC3=C(C=CC(=C3S2)OC)OC

Isomeric SMILES

CC1=CC=CC=C1C(=O)N(CCC[NH+](C)C)C2=NC3=C(C=CC(=C3S2)OC)OC

InChI

InChI=1S/C22H27N3O3S/c1-15-9-6-7-10-16(15)21(26)25(14-8-13-24(2)3)22-23-19-17(27-4)11-12-18(28-5)20(19)29-22/h6-7,9-12H,8,13-14H2,1-5H3/p+1