2-[(6-chloranyl-1,3-benzothiazol-2-yl)-[(E)-3-thiophen-2-ylprop-2-enoyl]amino]ethyl-diethyl-azanium

Systemtic Name: 2-[(6-chloranyl-1,3-benzothiazol-2-yl)-[(E)-3-thiophen-2-ylprop-2-enoyl]amino]ethyl-diethyl-azanium Openeye Name: 2-[(6-chloro-1,3-benzothiazol-2-yl)-[(E)-3-(2-thienyl)prop-2-enoyl]amino]ethyl-diethyl-ammonium CAS Name: 2-[(6-chloro-1,3-benzothiazol-2-yl)-[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]ethyl-diethylammonium IUPAC Name: 2-[(6-chloro-1,3-benzothiazol-2-yl)-[(E)-3-thiophen-2-ylprop-2-enoyl]amino]ethyl-diethylazanium Traditional Name: 2-[(6-chloro-1,3-benzothiazol-2-yl)-[(E)-3-(2-thienyl)acryloyl]amino]ethyl-diethyl-ammonium Formula: C20H23ClN3OS2+ MolecularWeight: 420.99912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3OS2/c1-3-23(4-2)11-12-24(19(25)10-8-16-6-5-13-26-16)20-22-17-9-7-15(21)14-18(17)27-20/h5-10,13-14H,3-4,11-12H2,1-2H3/p+1/b10-8+