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

Systemtic Name: 3-[(3-chlorophenyl)carbonyl-(4,7-dimethoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(3-chlorobenzoyl)-(4,7-dimethoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[(3-chlorophenyl)-oxomethyl]-(4,7-dimethoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[(3-chlorobenzoyl)-(4,7-dimethoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[(3-chlorobenzoyl)-(4,7-dimethoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium Formula: C21H25ClN3O3S+ MolecularWeight: 434.9595

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(C1=NC2=C(C=CC(=C2S1)OC)OC)C(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

C[NH+](C)CCCN(C1=NC2=C(C=CC(=C2S1)OC)OC)C(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H24ClN3O3S/c1-24(2)11-6-12-25(20(26)14-7-5-8-15(22)13-14)21-23-18-16(27-3)9-10-17(28-4)19(18)29-21/h5,7-10,13H,6,11-12H2,1-4H3/p+1