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

Systemtic Name: 4-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]-5-methyl-furan-2-carboxylate Openeye Name: 4-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-5-methyl-furan-2-carboxylate CAS Name: 4-[[4-(diphenylmethyl)-1-piperazin-1-iumyl]methyl]-5-methyl-2-furancarboxylate IUPAC Name: 4-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-5-methylfuran-2-carboxylate Traditional Name: 4-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-5-methyl-2-furoate Formula: C24H26N2O3 MolecularWeight: 390.47484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C(=O)[O-])C[NH+]2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(O1)C(=O)[O-])C[NH+]2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H26N2O3/c1-18-21(16-22(29-18)24(27)28)17-25-12-14-26(15-13-25)23(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,16,23H,12-15,17H2,1H3,(H,27,28)