3-[(6-ethoxy-1,3-benzothiazol-2-yl)-[(E)-3-phenylprop-2-enoyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(6-ethoxy-1,3-benzothiazol-2-yl)-[(E)-3-phenylprop-2-enoyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[(6-ethoxy-1,3-benzothiazol-2-yl)-[(E)-3-phenylprop-2-enoyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[(6-ethoxy-1,3-benzothiazol-2-yl)-[(E)-1-oxo-3-phenylprop-2-enyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(6-ethoxy-1,3-benzothiazol-2-yl)-[(E)-3-phenylprop-2-enoyl]amino]propyl-dimethylazanium Traditional Name: 3-[(6-ethoxy-1,3-benzothiazol-2-yl)-[(E)-3-phenylacryloyl]amino]propyl-dimethyl-ammonium Formula: C23H28N3O2S+ MolecularWeight: 410.55232

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)N(CCC[NH+](C)C)C(=O)C=CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O2S/c1-4-28-19-12-13-20-21(17-19)29-23(24-20)26(16-8-15-25(2)3)22(27)14-11-18-9-6-5-7-10-18/h5-7,9-14,17H,4,8,15-16H2,1-3H3/p+1/b14-11+