methyl 4-[(2S)-3-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]-2-oxidanyl-propoxy]-3-methoxy-benzoate

Systemtic Name: methyl 4-[(2S)-3-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]-2-oxidanyl-propoxy]-3-methoxy-benzoate Openeye Name: methyl 4-[(2S)-3-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-2-hydroxy-propoxy]-3-methoxy-benzoate CAS Name: 4-[(2S)-3-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]-2-hydroxypropoxy]-3-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-[(2S)-3-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-2-hydroxypropoxy]-3-methoxybenzoate Traditional Name: 4-[(2S)-3-[4-(2-furoyl)piperazin-1-ium-1-yl]-2-hydroxy-propoxy]-3-methoxy-benzoic acid methyl ester Formula: C21H27N2O7+ MolecularWeight: 419.44828

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OC)OCC(C[NH+]2CCN(CC2)C(=O)C3=CC=CO3)O

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OC)OC[C@H](C[NH+]2CCN(CC2)C(=O)C3=CC=CO3)O

InChI

InChI=1S/C21H26N2O7/c1-27-19-12-15(21(26)28-2)5-6-17(19)30-14-16(24)13-22-7-9-23(10-8-22)20(25)18-4-3-11-29-18/h3-6,11-12,16,24H,7-10,13-14H2,1-2H3/p+1/t16-/m0/s1