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

Systemtic Name: methyl 5-[(1S)-1-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]furan-2-carboxylate Openeye Name: methyl 5-[(1S)-1-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]furan-2-carboxylate CAS Name: 5-[(1S)-1-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]ethyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(1S)-1-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]furan-2-carboxylate Traditional Name: 5-[(1S)-1-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]furan-2-carboxylic acid methyl ester Formula: C19H25N2O4+ MolecularWeight: 345.4128

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2O4/c1-14(17-8-9-18(25-17)19(22)24-3)20-10-12-21(13-11-20)15-4-6-16(23-2)7-5-15/h4-9,14H,10-13H2,1-3H3/p+1/t14-/m0/s1