2-[(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-(4-cyanophenyl)carbonyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-(4-cyanophenyl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-(4-cyanobenzoyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-[(4-cyanophenyl)-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-(4-cyanobenzoyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-(4-cyanobenzoyl)amino]ethyl-dimethyl-ammonium Formula: C20H20ClN4O2S+ MolecularWeight: 415.9164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN4O2S/c1-24(2)10-11-25(19(26)14-6-4-13(12-22)5-7-14)20-23-17-16(27-3)9-8-15(21)18(17)28-20/h4-9H,10-11H2,1-3H3/p+1