(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(phenylmethyl)piperidin-1-ium-3-carboxylate

Systemtic Name: (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(phenylmethyl)piperidin-1-ium-3-carboxylate Openeye Name: (3S)-1-benzyl-3-(tert-butoxycarbonylamino)piperidin-1-ium-3-carboxylate CAS Name: (3S)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-(phenylmethyl)-3-piperidin-1-iumcarboxylate IUPAC Name: (3S)-1-benzyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-benzyl-3-(tert-butoxycarbonylamino)piperidin-1-ium-3-carboxylate Formula: C18H26N2O4 MolecularWeight: 334.41004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1(CCC[NH+](C1)CC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N[C@]1(CCC[NH+](C1)CC2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C18H26N2O4/c1-17(2,3)24-16(23)19-18(15(21)22)10-7-11-20(13-18)12-14-8-5-4-6-9-14/h4-6,8-9H,7,10-13H2,1-3H3,(H,19,23)(H,21,22)/t18-/m0/s1