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

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

Systemtic Name:2-[1,3-benzothiazol-2-yl-[(E)-3-phenylprop-2-enoyl]amino]ethyl-dimethyl-azanium
Openeye Name:2-[1,3-benzothiazol-2-yl-[(E)-3-phenylprop-2-enoyl]amino]ethyl-dimethyl-ammonium
CAS Name:2-[1,3-benzothiazol-2-yl-[(E)-1-oxo-3-phenylprop-2-enyl]amino]ethyl-dimethylammonium
IUPAC Name:2-[1,3-benzothiazol-2-yl-[(E)-3-phenylprop-2-enoyl]amino]ethyl-dimethylazanium
Traditional Name:2-[1,3-benzothiazol-2-yl-[(E)-3-phenylacryloyl]amino]ethyl-dimethyl-ammonium
Formula: C20H22N3OS+
MolecularWeight: 352.47318
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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(C1=NC2=CC=CC=C2S1)C(=O)C=CC3=CC=CC=C3


Isomeric SMILES

C[NH+](C)CCN(C1=NC2=CC=CC=C2S1)C(=O)/C=C/C3=CC=CC=C3


InChI

InChI=1S/C20H21N3OS/c1-22(2)14-15-23(19(24)13-12-16-8-4-3-5-9-16)20-21-17-10-6-7-11-18(17)25-20/h3-13H,14-15H2,1-2H3/p+1/b13-12+


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