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

Systemtic Name: 5-methyl-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]furan-2-carboxylate Openeye Name: 5-methyl-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]furan-2-carboxylate CAS Name: 5-methyl-4-[(4-phenyl-1-piperazin-1-iumyl)methyl]-2-furancarboxylate IUPAC Name: 5-methyl-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]furan-2-carboxylate Traditional Name: 5-methyl-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]-2-furoate Formula: C17H20N2O3 MolecularWeight: 300.3523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C(=O)[O-])C[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(O1)C(=O)[O-])C[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

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