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

Systemtic Name: 2-[(3-chlorophenyl)carbonyl-(4-ethoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(3-chlorobenzoyl)-(4-ethoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(3-chlorophenyl)-oxomethyl]-(4-ethoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[(3-chlorobenzoyl)-(4-ethoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[(3-chlorobenzoyl)-(4-ethoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium Formula: C20H23ClN3O2S+ MolecularWeight: 404.93352

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC=C1)SC(=N2)N(CC[NH+](C)C)C(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

CCOC1=C2C(=CC=C1)SC(=N2)N(CC[NH+](C)C)C(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H22ClN3O2S/c1-4-26-16-9-6-10-17-18(16)22-20(27-17)24(12-11-23(2)3)19(25)14-7-5-8-15(21)13-14/h5-10,13H,4,11-12H2,1-3H3/p+1