methyl 4-[[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ium-4-yl-ethyl]carbamoyl]benzoate

Systemtic Name: methyl 4-[[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ium-4-yl-ethyl]carbamoyl]benzoate Openeye Name: methyl 4-[[(2S)-2-(5-methyl-2-furyl)-2-morpholin-4-ium-4-yl-ethyl]carbamoyl]benzoate CAS Name: 4-[[[(2S)-2-(5-methyl-2-furanyl)-2-(4-morpholin-4-iumyl)ethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ium-4-ylethyl]carbamoyl]benzoate Traditional Name: 4-[[(2S)-2-(5-methyl-2-furyl)-2-morpholin-4-ium-4-yl-ethyl]carbamoyl]benzoic acid methyl ester Formula: C20H25N2O5+ MolecularWeight: 373.4229

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(CNC(=O)C2=CC=C(C=C2)C(=O)OC)[NH+]3CCOCC3

Isomeric SMILES

CC1=CC=C(O1)[C@H](CNC(=O)C2=CC=C(C=C2)C(=O)OC)[NH+]3CCOCC3

InChI

InChI=1S/C20H24N2O5/c1-14-3-8-18(27-14)17(22-9-11-26-12-10-22)13-21-19(23)15-4-6-16(7-5-15)20(24)25-2/h3-8,17H,9-13H2,1-2H3,(H,21,23)/p+1/t17-/m0/s1