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

Systemtic Name: N-[(E)-3-(2-morpholin-4-ium-4-ylethylamino)-1-(3-nitrophenyl)-3-oxidanylidene-prop-1-en-2-yl]thiophene-2-carboxamide Openeye Name: N-[(E)-1-(2-morpholin-4-ium-4-ylethylcarbamoyl)-2-(3-nitrophenyl)vinyl]thiophene-2-carboxamide CAS Name: N-[(E)-3-[2-(4-morpholin-4-iumyl)ethylamino]-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[(E)-3-(2-morpholin-4-ium-4-ylethylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide Traditional Name: N-[(E)-1-(2-morpholin-4-ium-4-ylethylcarbamoyl)-2-(3-nitrophenyl)vinyl]thiophene-2-carboxamide Formula: C20H23N4O5S+ MolecularWeight: 431.48542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O5S/c25-19(21-6-7-23-8-10-29-11-9-23)17(22-20(26)18-5-2-12-30-18)14-15-3-1-4-16(13-15)24(27)28/h1-5,12-14H,6-11H2,(H,21,25)(H,22,26)/p+1/b17-14+