methyl (2S)-2-azanyl-3-[1-(2-ethoxy-2-oxidanylidene-ethyl)-3-(phenylmethoxymethyl)imidazol-1-ium-4-yl]propanoate bromide

Systemtic Name: methyl (2S)-2-azanyl-3-[1-(2-ethoxy-2-oxidanylidene-ethyl)-3-(phenylmethoxymethyl)imidazol-1-ium-4-yl]propanoate bromide Openeye Name: methyl (2S)-2-amino-3-[3-(benzyloxymethyl)-1-(2-ethoxy-2-oxo-ethyl)imidazol-1-ium-4-yl]propanoate bromide CAS Name: (2S)-2-amino-3-[1-(2-ethoxy-2-oxoethyl)-3-(phenylmethoxymethyl)-4-imidazol-1-iumyl]propanoic acid methyl ester bromide IUPAC Name: methyl (2S)-2-amino-3-[1-(2-ethoxy-2-oxoethyl)-3-(phenylmethoxymethyl)imidazol-1-ium-4-yl]propanoate bromide Traditional Name: (2S)-2-amino-3-[3-(benzoxymethyl)-1-(2-ethoxy-2-keto-ethyl)imidazol-1-ium-4-yl]propionic acid methyl ester bromide Formula: C19H26BrN3O5 MolecularWeight: 456.33084

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1=CN(C(=C1)CC(C(=O)OC)N)COCC2=CC=CC=C2.[Br-]

Isomeric SMILES

CCOC(=O)C[N+]1=CN(C(=C1)C[C@@H](C(=O)OC)N)COCC2=CC=CC=C2.[Br-]

InChI

InChI=1S/C19H26N3O5.BrH/c1-3-27-18(23)11-21-10-16(9-17(20)19(24)25-2)22(13-21)14-26-12-15-7-5-4-6-8-15;/h4-8,10,13,17H,3,9,11-12,14,20H2,1-2H3;1H/q+1;/p-1/t17-;/m0./s1