2-[(2,4-dimethylphenyl)carbonyl-(4-ethoxy-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-azanium

Systemtic Name: 2-[(2,4-dimethylphenyl)carbonyl-(4-ethoxy-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-azanium Openeye Name: 2-[(2,4-dimethylbenzoyl)-(4-ethoxy-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-ammonium CAS Name: 2-[[(2,4-dimethylphenyl)-oxomethyl]-(4-ethoxy-1,3-benzothiazol-2-yl)amino]ethyl-diethylammonium IUPAC Name: 2-[(2,4-dimethylbenzoyl)-(4-ethoxy-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium Traditional Name: 2-[(2,4-dimethylbenzoyl)-(4-ethoxy-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-ammonium Formula: C24H32N3O2S+ MolecularWeight: 426.59478

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(C1=NC2=C(C=CC=C2S1)OCC)C(=O)C3=C(C=C(C=C3)C)C

Isomeric SMILES

CC[NH+](CC)CCN(C1=NC2=C(C=CC=C2S1)OCC)C(=O)C3=C(C=C(C=C3)C)C

InChI

InChI=1S/C24H31N3O2S/c1-6-26(7-2)14-15-27(23(28)19-13-12-17(4)16-18(19)5)24-25-22-20(29-8-3)10-9-11-21(22)30-24/h9-13,16H,6-8,14-15H2,1-5H3/p+1