methyl 5-[(1S)-1-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]ethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[(1S)-1-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]ethyl]furan-2-carboxylate Openeye Name: methyl 5-[(1S)-1-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]ethyl]furan-2-carboxylate CAS Name: 5-[(1S)-1-[4-(4-acetylphenyl)-1-piperazin-1-iumyl]ethyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(1S)-1-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]ethyl]furan-2-carboxylate Traditional Name: 5-[(1S)-1-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]ethyl]furan-2-carboxylic acid methyl ester Formula: C20H25N2O4+ MolecularWeight: 357.4235

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O4/c1-14(18-8-9-19(26-18)20(24)25-3)21-10-12-22(13-11-21)17-6-4-16(5-7-17)15(2)23/h4-9,14H,10-13H2,1-3H3/p+1/t14-/m0/s1