methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-phenacyl-1-prop-2-enyl-imidazol-1-ium-4-yl)propanoate bromide

Systemtic Name: methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-phenacyl-1-prop-2-enyl-imidazol-1-ium-4-yl)propanoate bromide Openeye Name: methyl (2S)-3-(1-allyl-3-phenacyl-imidazol-1-ium-4-yl)-2-(tert-butoxycarbonylamino)propanoate bromide CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(3-phenacyl-1-prop-2-enyl-4-imidazol-1-iumyl)propanoic acid methyl ester bromide IUPAC Name: methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-phenacyl-1-prop-2-enylimidazol-1-ium-4-yl)propanoate bromide Traditional Name: (2S)-3-(1-allyl-3-phenacyl-imidazol-1-ium-4-yl)-2-(tert-butoxycarbonylamino)propionic acid methyl ester bromide Formula: C23H30BrN3O5 MolecularWeight: 508.4054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=C[N+](=CN1CC(=O)C2=CC=CC=C2)CC=C)C(=O)OC.[Br-]

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=C[N+](=CN1CC(=O)C2=CC=CC=C2)CC=C)C(=O)OC.[Br-]

InChI

InChI=1S/C23H29N3O5.BrH/c1-6-12-25-14-18(26(16-25)15-20(27)17-10-8-7-9-11-17)13-19(21(28)30-5)24-22(29)31-23(2,3)4;/h6-11,14,16,19H,1,12-13,15H2,2-5H3;1H/t19-;/m0./s1