2-[(5-methoxy-1,3-benzothiazol-2-yl)-[4-(phenylcarbonyl)phenyl]carbonyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(5-methoxy-1,3-benzothiazol-2-yl)-[4-(phenylcarbonyl)phenyl]carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[(4-benzoylbenzoyl)-(5-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(4-benzoylphenyl)-oxomethyl]-(5-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[(4-benzoylbenzoyl)-(5-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[(4-benzoylbenzoyl)-(5-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium Formula: C26H26N3O3S+ MolecularWeight: 460.56794

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(C1=NC2=C(S1)C=CC(=C2)OC)C(=O)C3=CC=C(C=C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

C[NH+](C)CCN(C1=NC2=C(S1)C=CC(=C2)OC)C(=O)C3=CC=C(C=C3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H25N3O3S/c1-28(2)15-16-29(26-27-22-17-21(32-3)13-14-23(22)33-26)25(31)20-11-9-19(10-12-20)24(30)18-7-5-4-6-8-18/h4-14,17H,15-16H2,1-3H3/p+1