4-[[2-methyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]piperidin-1-ium-4-carboxylate

Systemtic Name: 4-[[2-methyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]piperidin-1-ium-4-carboxylate Openeye Name: 4-[[2-(benzyloxycarbonylamino)-2-methyl-propanoyl]amino]piperidin-1-ium-4-carboxylate CAS Name: 4-[[2-methyl-1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]-4-piperidin-1-iumcarboxylate IUPAC Name: 4-[[2-methyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]piperidin-1-ium-4-carboxylate Traditional Name: 4-[[2-(benzyloxycarbonylamino)-2-methyl-propanoyl]amino]piperidin-1-ium-4-carboxylate Formula: C18H25N3O5 MolecularWeight: 363.4082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NC1(CC[NH2+]CC1)C(=O)[O-])NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C(=O)NC1(CC[NH2+]CC1)C(=O)[O-])NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C18H25N3O5/c1-17(2,21-16(25)26-12-13-6-4-3-5-7-13)14(22)20-18(15(23)24)8-10-19-11-9-18/h3-7,19H,8-12H2,1-2H3,(H,20,22)(H,21,25)(H,23,24)