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

Systemtic Name: 5-methyl-4-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]furan-2-carboxylate Openeye Name: 4-[(4-benzylpiperazin-1-ium-1-yl)methyl]-5-methyl-furan-2-carboxylate CAS Name: 5-methyl-4-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]-2-furancarboxylate IUPAC Name: 4-[(4-benzylpiperazin-1-ium-1-yl)methyl]-5-methylfuran-2-carboxylate Traditional Name: 4-[(4-benzylpiperazin-1-ium-1-yl)methyl]-5-methyl-2-furoate Formula: C18H22N2O3 MolecularWeight: 314.37888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C(=O)[O-])C[NH+]2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(O1)C(=O)[O-])C[NH+]2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C18H22N2O3/c1-14-16(11-17(23-14)18(21)22)13-20-9-7-19(8-10-20)12-15-5-3-2-4-6-15/h2-6,11H,7-10,12-13H2,1H3,(H,21,22)