3-[(6-methoxy-1,3-benzothiazol-2-yl)-[(E)-3-thiophen-2-ylprop-2-enoyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(6-methoxy-1,3-benzothiazol-2-yl)-[(E)-3-thiophen-2-ylprop-2-enoyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[(6-methoxy-1,3-benzothiazol-2-yl)-[(E)-3-(2-thienyl)prop-2-enoyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[(6-methoxy-1,3-benzothiazol-2-yl)-[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(6-methoxy-1,3-benzothiazol-2-yl)-[(E)-3-thiophen-2-ylprop-2-enoyl]amino]propyl-dimethylazanium Traditional Name: 3-[(6-methoxy-1,3-benzothiazol-2-yl)-[(E)-3-(2-thienyl)acryloyl]amino]propyl-dimethyl-ammonium Formula: C20H24N3O2S2+ MolecularWeight: 402.55346

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(C1=NC2=C(S1)C=C(C=C2)OC)C(=O)C=CC3=CC=CS3

Isomeric SMILES

C[NH+](C)CCCN(C1=NC2=C(S1)C=C(C=C2)OC)C(=O)/C=C/C3=CC=CS3

InChI

InChI=1S/C20H23N3O2S2/c1-22(2)11-5-12-23(19(24)10-8-16-6-4-13-26-16)20-21-17-9-7-15(25-3)14-18(17)27-20/h4,6-10,13-14H,5,11-12H2,1-3H3/p+1/b10-8+