3-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-(3-phenylpropanoyl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-(3-phenylpropanoyl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-(3-phenylpropanoyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-(1-oxo-3-phenylpropyl)amino]propyl-dimethylammonium IUPAC Name: 3-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-(3-phenylpropanoyl)amino]propyl-dimethylazanium Traditional Name: 3-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-hydrocinnamoyl-amino]propyl-dimethyl-ammonium Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(C1=NC2=C(C=CC(=C2S1)OC)OC)C(=O)CCC3=CC=CC=C3

Isomeric SMILES

C[NH+](C)CCCN(C1=NC2=C(C=CC(=C2S1)OC)OC)C(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C23H29N3O3S/c1-25(2)15-8-16-26(20(27)14-11-17-9-6-5-7-10-17)23-24-21-18(28-3)12-13-19(29-4)22(21)30-23/h5-7,9-10,12-13H,8,11,14-16H2,1-4H3/p+1