N-[(E)-1-(2-chlorophenyl)-3-oxidanylidene-3-(2-piperazin-4-ium-1-ylethylamino)prop-1-en-2-yl]furan-2-carboxamide

Systemtic Name: N-[(E)-1-(2-chlorophenyl)-3-oxidanylidene-3-(2-piperazin-4-ium-1-ylethylamino)prop-1-en-2-yl]furan-2-carboxamide Openeye Name: N-[(E)-2-(2-chlorophenyl)-1-(2-piperazin-4-ium-1-ylethylcarbamoyl)vinyl]furan-2-carboxamide CAS Name: N-[(E)-1-(2-chlorophenyl)-3-oxo-3-[2-(1-piperazin-4-iumyl)ethylamino]prop-1-en-2-yl]-2-furancarboxamide IUPAC Name: N-[(E)-1-(2-chlorophenyl)-3-oxo-3-(2-piperazin-4-ium-1-ylethylamino)prop-1-en-2-yl]furan-2-carboxamide Traditional Name: N-[(E)-2-(2-chlorophenyl)-1-(2-piperazin-4-ium-1-ylethylcarbamoyl)vinyl]-2-furamide Formula: C20H24ClN4O3+ MolecularWeight: 403.88256

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)CCNC(=O)C(=CC2=CC=CC=C2Cl)NC(=O)C3=CC=CO3

Isomeric SMILES

C1CN(CC[NH2+]1)CCNC(=O)/C(=C\C2=CC=CC=C2Cl)/NC(=O)C3=CC=CO3

InChI

InChI=1S/C20H23ClN4O3/c21-16-5-2-1-4-15(16)14-17(24-20(27)18-6-3-13-28-18)19(26)23-9-12-25-10-7-22-8-11-25/h1-6,13-14,22H,7-12H2,(H,23,26)(H,24,27)/p+1/b17-14+