diethyl-[2-[(5-methoxy-1,3-benzothiazol-2-yl)-[(E)-3-phenylprop-2-enoyl]amino]ethyl]azanium

Systemtic Name: diethyl-[2-[(5-methoxy-1,3-benzothiazol-2-yl)-[(E)-3-phenylprop-2-enoyl]amino]ethyl]azanium Openeye Name: diethyl-[2-[(5-methoxy-1,3-benzothiazol-2-yl)-[(E)-3-phenylprop-2-enoyl]amino]ethyl]ammonium CAS Name: diethyl-[2-[(5-methoxy-1,3-benzothiazol-2-yl)-[(E)-1-oxo-3-phenylprop-2-enyl]amino]ethyl]ammonium IUPAC Name: diethyl-[2-[(5-methoxy-1,3-benzothiazol-2-yl)-[(E)-3-phenylprop-2-enoyl]amino]ethyl]azanium Traditional Name: diethyl-[2-[(5-methoxy-1,3-benzothiazol-2-yl)-[(E)-3-phenylacryloyl]amino]ethyl]ammonium Formula: C23H28N3O2S+ MolecularWeight: 410.55232

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(C1=NC2=C(S1)C=CC(=C2)OC)C(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CC[NH+](CC)CCN(C1=NC2=C(S1)C=CC(=C2)OC)C(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C23H27N3O2S/c1-4-25(5-2)15-16-26(22(27)14-11-18-9-7-6-8-10-18)23-24-20-17-19(28-3)12-13-21(20)29-23/h6-14,17H,4-5,15-16H2,1-3H3/p+1/b14-11+