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

Systemtic Name: 2-[(4-ethoxy-1,3-benzothiazol-2-yl)-(3-phenylpropanoyl)amino]ethyl-diethyl-azanium Openeye Name: 2-[(4-ethoxy-1,3-benzothiazol-2-yl)-(3-phenylpropanoyl)amino]ethyl-diethyl-ammonium CAS Name: 2-[(4-ethoxy-1,3-benzothiazol-2-yl)-(1-oxo-3-phenylpropyl)amino]ethyl-diethylammonium IUPAC Name: 2-[(4-ethoxy-1,3-benzothiazol-2-yl)-(3-phenylpropanoyl)amino]ethyl-diethylazanium Traditional Name: 2-[(4-ethoxy-1,3-benzothiazol-2-yl)-hydrocinnamoyl-amino]ethyl-diethyl-ammonium Formula: C24H32N3O2S+ MolecularWeight: 426.59478

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(C1=NC2=C(C=CC=C2S1)OCC)C(=O)CCC3=CC=CC=C3

Isomeric SMILES

CC[NH+](CC)CCN(C1=NC2=C(C=CC=C2S1)OCC)C(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C24H31N3O2S/c1-4-26(5-2)17-18-27(22(28)16-15-19-11-8-7-9-12-19)24-25-23-20(29-6-3)13-10-14-21(23)30-24/h7-14H,4-6,15-18H2,1-3H3/p+1