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

Systemtic Name: 2-[1,3-benzothiazol-2-yl-[(E)-3-phenylprop-2-enoyl]amino]ethyl-diethyl-azanium Openeye Name: 2-[1,3-benzothiazol-2-yl-[(E)-3-phenylprop-2-enoyl]amino]ethyl-diethyl-ammonium CAS Name: 2-[1,3-benzothiazol-2-yl-[(E)-1-oxo-3-phenylprop-2-enyl]amino]ethyl-diethylammonium IUPAC Name: 2-[1,3-benzothiazol-2-yl-[(E)-3-phenylprop-2-enoyl]amino]ethyl-diethylazanium Traditional Name: 2-[1,3-benzothiazol-2-yl-[(E)-3-phenylacryloyl]amino]ethyl-diethyl-ammonium Formula: C22H26N3OS+ MolecularWeight: 380.52634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3OS/c1-3-24(4-2)16-17-25(21(26)15-14-18-10-6-5-7-11-18)22-23-19-12-8-9-13-20(19)27-22/h5-15H,3-4,16-17H2,1-2H3/p+1/b15-14+