methyl 5-[(4-phenylpiperazin-1-ium-1-yl)methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[(4-phenylpiperazin-1-ium-1-yl)methyl]furan-2-carboxylate Openeye Name: methyl 5-[(4-phenylpiperazin-1-ium-1-yl)methyl]furan-2-carboxylate CAS Name: 5-[(4-phenyl-1-piperazin-1-iumyl)methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(4-phenylpiperazin-1-ium-1-yl)methyl]furan-2-carboxylate Traditional Name: 5-[(4-phenylpiperazin-1-ium-1-yl)methyl]furan-2-carboxylic acid methyl ester Formula: C17H21N2O3+ MolecularWeight: 301.36024

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)C[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(O1)C[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C17H20N2O3/c1-21-17(20)16-8-7-15(22-16)13-18-9-11-19(12-10-18)14-5-3-2-4-6-14/h2-8H,9-13H2,1H3/p+1