4-methoxy-N-[(E)-3-(2-morpholin-4-ium-4-ylethylamino)-3-oxidanylidene-1-thiophen-2-yl-prop-1-en-2-yl]benzamide

Systemtic Name: 4-methoxy-N-[(E)-3-(2-morpholin-4-ium-4-ylethylamino)-3-oxidanylidene-1-thiophen-2-yl-prop-1-en-2-yl]benzamide Openeye Name: 4-methoxy-N-[(E)-1-(2-morpholin-4-ium-4-ylethylcarbamoyl)-2-(2-thienyl)vinyl]benzamide CAS Name: 4-methoxy-N-[(E)-3-[2-(4-morpholin-4-iumyl)ethylamino]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide IUPAC Name: 4-methoxy-N-[(E)-3-(2-morpholin-4-ium-4-ylethylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide Traditional Name: 4-methoxy-N-[(E)-1-(2-morpholin-4-ium-4-ylethylcarbamoyl)-2-(2-thienyl)vinyl]benzamide Formula: C21H26N3O4S+ MolecularWeight: 416.51384

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC(=CC2=CC=CS2)C(=O)NCC[NH+]3CCOCC3

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=CS2)/C(=O)NCC[NH+]3CCOCC3

InChI

InChI=1S/C21H25N3O4S/c1-27-17-6-4-16(5-7-17)20(25)23-19(15-18-3-2-14-29-18)21(26)22-8-9-24-10-12-28-13-11-24/h2-7,14-15H,8-13H2,1H3,(H,22,26)(H,23,25)/p+1/b19-15+