(2S)-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-ium-1-yl]-2-phenyl-ethanoate

Systemtic Name: (2S)-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-ium-1-yl]-2-phenyl-ethanoate Openeye Name: (2S)-2-[4-(tert-butoxycarbonylamino)piperidin-1-ium-1-yl]-2-phenyl-acetate CAS Name: (2S)-2-[4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-piperidin-1-iumyl]-2-phenylacetate IUPAC Name: (2S)-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-ium-1-yl]-2-phenylacetate Traditional Name: (2S)-2-[4-(tert-butoxycarbonylamino)piperidin-1-ium-1-yl]-2-phenyl-acetate Formula: C18H26N2O4 MolecularWeight: 334.41004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CC[NH+](CC1)C(C2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NC1CC[NH+](CC1)[C@@H](C2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C18H26N2O4/c1-18(2,3)24-17(23)19-14-9-11-20(12-10-14)15(16(21)22)13-7-5-4-6-8-13/h4-8,14-15H,9-12H2,1-3H3,(H,19,23)(H,21,22)/t15-/m0/s1