methyl (2S)-3-cyclohexyl-2-(2-morpholin-4-ium-4-ylethanoylamino)propanoate

Systemtic Name: methyl (2S)-3-cyclohexyl-2-(2-morpholin-4-ium-4-ylethanoylamino)propanoate Openeye Name: methyl (2S)-3-cyclohexyl-2-[(2-morpholin-4-ium-4-ylacetyl)amino]propanoate CAS Name: (2S)-3-cyclohexyl-2-[[2-(4-morpholin-4-iumyl)-1-oxoethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-cyclohexyl-2-[(2-morpholin-4-ium-4-ylacetyl)amino]propanoate Traditional Name: (2S)-3-cyclohexyl-2-[(2-morpholin-4-ium-4-ylacetyl)amino]propionic acid methyl ester Formula: C16H29N2O4+ MolecularWeight: 313.41246

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1CCCCC1)NC(=O)C[NH+]2CCOCC2

Isomeric SMILES

COC(=O)[C@H](CC1CCCCC1)NC(=O)C[NH+]2CCOCC2

InChI

InChI=1S/C16H28N2O4/c1-21-16(20)14(11-13-5-3-2-4-6-13)17-15(19)12-18-7-9-22-10-8-18/h13-14H,2-12H2,1H3,(H,17,19)/p+1/t14-/m0/s1