methyl 5-[[4-(4-cyanopyridin-2-yl)piperazin-1-ium-1-yl]methyl]-3-methyl-furan-2-carboxylate

Systemtic Name: methyl 5-[[4-(4-cyanopyridin-2-yl)piperazin-1-ium-1-yl]methyl]-3-methyl-furan-2-carboxylate Openeye Name: methyl 5-[[4-(4-cyano-2-pyridyl)piperazin-1-ium-1-yl]methyl]-3-methyl-furan-2-carboxylate CAS Name: 5-[[4-(4-cyano-2-pyridinyl)-1-piperazin-1-iumyl]methyl]-3-methyl-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(4-cyanopyridin-2-yl)piperazin-1-ium-1-yl]methyl]-3-methylfuran-2-carboxylate Traditional Name: 5-[[4-(4-cyano-2-pyridyl)piperazin-1-ium-1-yl]methyl]-3-methyl-furan-2-carboxylic acid methyl ester Formula: C18H21N4O3+ MolecularWeight: 341.38434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1)C[NH+]2CCN(CC2)C3=NC=CC(=C3)C#N)C(=O)OC

Isomeric SMILES

CC1=C(OC(=C1)C[NH+]2CCN(CC2)C3=NC=CC(=C3)C#N)C(=O)OC

InChI

InChI=1S/C18H20N4O3/c1-13-9-15(25-17(13)18(23)24-2)12-21-5-7-22(8-6-21)16-10-14(11-19)3-4-20-16/h3-4,9-10H,5-8,12H2,1-2H3/p+1