3-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-(3-phenylpropanoyl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-(3-phenylpropanoyl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-(3-phenylpropanoyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-(1-oxo-3-phenylpropyl)amino]propyl-dimethylammonium IUPAC Name: 3-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-(3-phenylpropanoyl)amino]propyl-dimethylazanium Traditional Name: 3-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-hydrocinnamoyl-amino]propyl-dimethyl-ammonium Formula: C23H30N3OS+ MolecularWeight: 396.5688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=N2)N(CCC[NH+](C)C)C(=O)CCC3=CC=CC=C3

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)N(CCC[NH+](C)C)C(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C23H29N3OS/c1-17-15-20-21(16-18(17)2)28-23(24-20)26(14-8-13-25(3)4)22(27)12-11-19-9-6-5-7-10-19/h5-7,9-10,15-16H,8,11-14H2,1-4H3/p+1