N-[(E)-1-(4-bromophenyl)-3-(2-morpholin-4-ium-4-ylethylamino)-3-oxidanylidene-prop-1-en-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[(E)-1-(4-bromophenyl)-3-(2-morpholin-4-ium-4-ylethylamino)-3-oxidanylidene-prop-1-en-2-yl]thiophene-2-carboxamide Openeye Name: N-[(E)-2-(4-bromophenyl)-1-(2-morpholin-4-ium-4-ylethylcarbamoyl)vinyl]thiophene-2-carboxamide CAS Name: N-[(E)-1-(4-bromophenyl)-3-[2-(4-morpholin-4-iumyl)ethylamino]-3-oxoprop-1-en-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[(E)-1-(4-bromophenyl)-3-(2-morpholin-4-ium-4-ylethylamino)-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide Traditional Name: N-[(E)-2-(4-bromophenyl)-1-(2-morpholin-4-ium-4-ylethylcarbamoyl)vinyl]thiophene-2-carboxamide Formula: C20H23BrN3O3S+ MolecularWeight: 465.38392

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC(=O)C(=CC2=CC=C(C=C2)Br)NC(=O)C3=CC=CS3

Isomeric SMILES

C1COCC[NH+]1CCNC(=O)/C(=C\C2=CC=C(C=C2)Br)/NC(=O)C3=CC=CS3

InChI

InChI=1S/C20H22BrN3O3S/c21-16-5-3-15(4-6-16)14-17(23-20(26)18-2-1-13-28-18)19(25)22-7-8-24-9-11-27-12-10-24/h1-6,13-14H,7-12H2,(H,22,25)(H,23,26)/p+1/b17-14+