2-[(6-chloranyl-1,3-benzothiazol-2-yl)-(3-phenylpropanoyl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(6-chloranyl-1,3-benzothiazol-2-yl)-(3-phenylpropanoyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(6-chloro-1,3-benzothiazol-2-yl)-(3-phenylpropanoyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(6-chloro-1,3-benzothiazol-2-yl)-(1-oxo-3-phenylpropyl)amino]ethyl-dimethylammonium IUPAC Name: 2-[(6-chloro-1,3-benzothiazol-2-yl)-(3-phenylpropanoyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(6-chloro-1,3-benzothiazol-2-yl)-hydrocinnamoyl-amino]ethyl-dimethyl-ammonium Formula: C20H23ClN3OS+ MolecularWeight: 388.93412

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(C1=NC2=C(S1)C=C(C=C2)Cl)C(=O)CCC3=CC=CC=C3

Isomeric SMILES

C[NH+](C)CCN(C1=NC2=C(S1)C=C(C=C2)Cl)C(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C20H22ClN3OS/c1-23(2)12-13-24(19(25)11-8-15-6-4-3-5-7-15)20-22-17-10-9-16(21)14-18(17)26-20/h3-7,9-10,14H,8,11-13H2,1-2H3/p+1