N-[(Z)-1-(furan-2-yl)-3-(2-morpholin-4-ium-4-ylethylamino)-3-oxidanylidene-prop-1-en-2-yl]-3,4-dimethyl-benzamide

Systemtic Name: N-[(Z)-1-(furan-2-yl)-3-(2-morpholin-4-ium-4-ylethylamino)-3-oxidanylidene-prop-1-en-2-yl]-3,4-dimethyl-benzamide Openeye Name: N-[(Z)-2-(2-furyl)-1-(2-morpholin-4-ium-4-ylethylcarbamoyl)vinyl]-3,4-dimethyl-benzamide CAS Name: N-[(Z)-1-(2-furanyl)-3-[2-(4-morpholin-4-iumyl)ethylamino]-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide IUPAC Name: N-[(Z)-1-(furan-2-yl)-3-(2-morpholin-4-ium-4-ylethylamino)-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide Traditional Name: N-[(Z)-2-(2-furyl)-1-(2-morpholin-4-ium-4-ylethylcarbamoyl)vinyl]-3,4-dimethyl-benzamide Formula: C22H28N3O4+ MolecularWeight: 398.47542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=CC2=CC=CO2)C(=O)NCC[NH+]3CCOCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N/C(=C\C2=CC=CO2)/C(=O)NCC[NH+]3CCOCC3)C

InChI

InChI=1S/C22H27N3O4/c1-16-5-6-18(14-17(16)2)21(26)24-20(15-19-4-3-11-29-19)22(27)23-7-8-25-9-12-28-13-10-25/h3-6,11,14-15H,7-10,12-13H2,1-2H3,(H,23,27)(H,24,26)/p+1/b20-15-