2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)-[(E)-3-phenylprop-2-enoyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)-[(E)-3-phenylprop-2-enoyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)-[(E)-3-phenylprop-2-enoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)-[(E)-1-oxo-3-phenylprop-2-enyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)-[(E)-3-phenylprop-2-enoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)-[(E)-3-phenylacryloyl]amino]ethyl-dimethyl-ammonium Formula: C22H26N3OS+ MolecularWeight: 380.52634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N(CC[NH+](C)C)C(=O)C=CC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N(CC[NH+](C)C)C(=O)/C=C/C3=CC=CC=C3)C

InChI

InChI=1S/C22H25N3OS/c1-16-14-17(2)21-19(15-16)27-22(23-21)25(13-12-24(3)4)20(26)11-10-18-8-6-5-7-9-18/h5-11,14-15H,12-13H2,1-4H3/p+1/b11-10+