(2R)-4-(4-ethoxyphenyl)-2-(2-morpholin-4-ium-4-ylethylazaniumyl)-4-oxidanylidene-butanoate

Systemtic Name: (2R)-4-(4-ethoxyphenyl)-2-(2-morpholin-4-ium-4-ylethylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(4-ethoxyphenyl)-2-(2-morpholin-4-ium-4-ylethylammonio)-4-oxo-butanoate CAS Name: (2R)-4-(4-ethoxyphenyl)-2-[2-(4-morpholin-4-iumyl)ethylammonio]-4-oxobutanoate IUPAC Name: (2R)-4-(4-ethoxyphenyl)-2-(2-morpholin-4-ium-4-ylethylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-4-keto-2-(2-morpholin-4-ium-4-ylethylammonio)-4-p-phenetyl-butyrate Formula: C18H27N2O5+ MolecularWeight: 351.41738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)CC(C(=O)[O-])[NH2+]CC[NH+]2CCOCC2

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)C[C@H](C(=O)[O-])[NH2+]CC[NH+]2CCOCC2

InChI

InChI=1S/C18H26N2O5/c1-2-25-15-5-3-14(4-6-15)17(21)13-16(18(22)23)19-7-8-20-9-11-24-12-10-20/h3-6,16,19H,2,7-13H2,1H3,(H,22,23)/p+1/t16-/m1/s1