methyl 1-(phenylmethoxycarbonylamino)piperazin-1-ium-1-carboxylate

Systemtic Name: methyl 1-(phenylmethoxycarbonylamino)piperazin-1-ium-1-carboxylate Openeye Name: methyl 1-(benzyloxycarbonylamino)piperazin-1-ium-1-carboxylate CAS Name: 1-(phenylmethoxycarbonylamino)-1-piperazin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-(phenylmethoxycarbonylamino)piperazin-1-ium-1-carboxylate Traditional Name: 1-(benzyloxycarbonylamino)piperazin-1-ium-1-carboxylic acid methyl ester Formula: C14H20N3O4+ MolecularWeight: 294.3263

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)[N+]1(CCNCC1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

COC(=O)[N+]1(CCNCC1)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C14H19N3O4/c1-20-14(19)17(9-7-15-8-10-17)16-13(18)21-11-12-5-3-2-4-6-12/h2-6,15H,7-11H2,1H3/p+1