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

Systemtic Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)-(3-phenylpropanoyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)-(3-phenylpropanoyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)-(1-oxo-3-phenylpropyl)amino]ethyl-dimethylammonium IUPAC Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)-(3-phenylpropanoyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)-hydrocinnamoyl-amino]ethyl-dimethyl-ammonium Formula: C22H28N3O2S+ MolecularWeight: 398.54162

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)N(CC[NH+](C)C)C(=O)CCC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N(CC[NH+](C)C)C(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O2S/c1-4-27-18-11-12-19-20(16-18)28-22(23-19)25(15-14-24(2)3)21(26)13-10-17-8-6-5-7-9-17/h5-9,11-12,16H,4,10,13-15H2,1-3H3/p+1