methyl (2S)-3-(1H-indol-3-yl)-2-(2-morpholin-4-ium-4-ylethanoylamino)propanoate

Systemtic Name: methyl (2S)-3-(1H-indol-3-yl)-2-(2-morpholin-4-ium-4-ylethanoylamino)propanoate Openeye Name: methyl (2S)-3-(1H-indol-3-yl)-2-[(2-morpholin-4-ium-4-ylacetyl)amino]propanoate CAS Name: (2S)-3-(1H-indol-3-yl)-2-[[2-(4-morpholin-4-iumyl)-1-oxoethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(1H-indol-3-yl)-2-[(2-morpholin-4-ium-4-ylacetyl)amino]propanoate Traditional Name: (2S)-3-(1H-indol-3-yl)-2-[(2-morpholin-4-ium-4-ylacetyl)amino]propionic acid methyl ester Formula: C18H24N3O4+ MolecularWeight: 346.40086

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C[NH+]3CCOCC3

Isomeric SMILES

COC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)C[NH+]3CCOCC3

InChI

InChI=1S/C18H23N3O4/c1-24-18(23)16(20-17(22)12-21-6-8-25-9-7-21)10-13-11-19-15-5-3-2-4-14(13)15/h2-5,11,16,19H,6-10,12H2,1H3,(H,20,22)/p+1/t16-/m0/s1