3-[(6-chloranyl-1,3-benzothiazol-2-yl)-(4-cyanophenyl)carbonyl-amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(6-chloranyl-1,3-benzothiazol-2-yl)-(4-cyanophenyl)carbonyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[(6-chloro-1,3-benzothiazol-2-yl)-(4-cyanobenzoyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(6-chloro-1,3-benzothiazol-2-yl)-[(4-cyanophenyl)-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(6-chloro-1,3-benzothiazol-2-yl)-(4-cyanobenzoyl)amino]propyl-dimethylazanium Traditional Name: 3-[(6-chloro-1,3-benzothiazol-2-yl)-(4-cyanobenzoyl)amino]propyl-dimethyl-ammonium Formula: C20H20ClN4OS+ MolecularWeight: 399.917

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(C1=NC2=C(S1)C=C(C=C2)Cl)C(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C[NH+](C)CCCN(C1=NC2=C(S1)C=C(C=C2)Cl)C(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H19ClN4OS/c1-24(2)10-3-11-25(19(26)15-6-4-14(13-22)5-7-15)20-23-17-9-8-16(21)12-18(17)27-20/h4-9,12H,3,10-11H2,1-2H3/p+1