2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(3-phenylpropanoyl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(3-phenylpropanoyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(3-phenylpropanoyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(1-oxo-3-phenylpropyl)amino]ethyl-dimethylammonium IUPAC Name: 2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(3-phenylpropanoyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-hydrocinnamoyl-amino]ethyl-dimethyl-ammonium Formula: C22H28N3OS+ MolecularWeight: 382.54222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)N(CC[NH+](C)C)C(=O)CCC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)N(CC[NH+](C)C)C(=O)CCC3=CC=CC=C3)C

InChI

InChI=1S/C22H27N3OS/c1-16-10-12-19-21(17(16)2)23-22(27-19)25(15-14-24(3)4)20(26)13-11-18-8-6-5-7-9-18/h5-10,12H,11,13-15H2,1-4H3/p+1