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

Systemtic Name: N-[(Z)-1-(4-methoxyphenyl)-3-oxidanylidene-3-(2-piperazin-4-ium-1-ylethylamino)prop-1-en-2-yl]furan-2-carboxamide Openeye Name: N-[(Z)-2-(4-methoxyphenyl)-1-(2-piperazin-4-ium-1-ylethylcarbamoyl)vinyl]furan-2-carboxamide CAS Name: N-[(Z)-1-(4-methoxyphenyl)-3-oxo-3-[2-(1-piperazin-4-iumyl)ethylamino]prop-1-en-2-yl]-2-furancarboxamide IUPAC Name: N-[(Z)-1-(4-methoxyphenyl)-3-oxo-3-(2-piperazin-4-ium-1-ylethylamino)prop-1-en-2-yl]furan-2-carboxamide Traditional Name: N-[(Z)-2-(4-methoxyphenyl)-1-(2-piperazin-4-ium-1-ylethylcarbamoyl)vinyl]-2-furamide Formula: C21H27N4O4+ MolecularWeight: 399.46348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=C(C(=O)NCCN2CC[NH2+]CC2)NC(=O)C3=CC=CO3

Isomeric SMILES

COC1=CC=C(C=C1)/C=C(/C(=O)NCCN2CC[NH2+]CC2)\NC(=O)C3=CC=CO3

InChI

InChI=1S/C21H26N4O4/c1-28-17-6-4-16(5-7-17)15-18(24-21(27)19-3-2-14-29-19)20(26)23-10-13-25-11-8-22-9-12-25/h2-7,14-15,22H,8-13H2,1H3,(H,23,26)(H,24,27)/p+1/b18-15-