methyl 5-[(E)-3-[[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]amino]-3-oxidanylidene-prop-1-enyl]-2-methyl-furan-3-carboxylate

Systemtic Name: methyl 5-[(E)-3-[[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]amino]-3-oxidanylidene-prop-1-enyl]-2-methyl-furan-3-carboxylate Openeye Name: methyl 5-[(E)-3-[2-(4-ethylpiperazin-4-ium-1-yl)anilino]-3-oxo-prop-1-enyl]-2-methyl-furan-3-carboxylate CAS Name: 5-[(E)-3-[2-(4-ethyl-1-piperazin-4-iumyl)anilino]-3-oxoprop-1-enyl]-2-methyl-3-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(E)-3-[2-(4-ethylpiperazin-4-ium-1-yl)anilino]-3-oxoprop-1-enyl]-2-methylfuran-3-carboxylate Traditional Name: 5-[(E)-3-[2-(4-ethylpiperazin-4-ium-1-yl)anilino]-3-keto-prop-1-enyl]-2-methyl-furan-3-carboxylic acid methyl ester Formula: C22H28N3O4+ MolecularWeight: 398.47542

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=CC=C2NC(=O)C=CC3=CC(=C(O3)C)C(=O)OC

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=CC=C2NC(=O)/C=C/C3=CC(=C(O3)C)C(=O)OC

InChI

InChI=1S/C22H27N3O4/c1-4-24-11-13-25(14-12-24)20-8-6-5-7-19(20)23-21(26)10-9-17-15-18(16(2)29-17)22(27)28-3/h5-10,15H,4,11-14H2,1-3H3,(H,23,26)/p+1/b10-9+