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

Systemtic Name: (2R)-4-(4-methylphenyl)-2-(2-morpholin-4-ium-4-ylethylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (2R)-2-(2-morpholin-4-ium-4-ylethylammonio)-4-oxo-4-(p-tolyl)butanoate CAS Name: (2R)-4-(4-methylphenyl)-2-[2-(4-morpholin-4-iumyl)ethylammonio]-4-oxobutanoate IUPAC Name: (2R)-4-(4-methylphenyl)-2-(2-morpholin-4-ium-4-ylethylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-4-keto-2-(2-morpholin-4-ium-4-ylethylammonio)-4-(p-tolyl)butyrate Formula: C17H25N2O4+ MolecularWeight: 321.3914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CC(C(=O)[O-])[NH2+]CC[NH+]2CCOCC2

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C[C@H](C(=O)[O-])[NH2+]CC[NH+]2CCOCC2

InChI

InChI=1S/C17H24N2O4/c1-13-2-4-14(5-3-13)16(20)12-15(17(21)22)18-6-7-19-8-10-23-11-9-19/h2-5,15,18H,6-12H2,1H3,(H,21,22)/p+1/t15-/m1/s1