(2-methylpropan-2-yl)oxycarbonyl-(2-oxidanylidene-4-phenylmethoxycarbonyl-piperazin-1-yl)-piperidin-4-ylidene-azanium

Systemtic Name: (2-methylpropan-2-yl)oxycarbonyl-(2-oxidanylidene-4-phenylmethoxycarbonyl-piperazin-1-yl)-piperidin-4-ylidene-azanium Openeye Name: (4-benzyloxycarbonyl-2-oxo-piperazin-1-yl)-tert-butoxycarbonyl-(4-piperidylidene)ammonium CAS Name: [(2-methylpropan-2-yl)oxy-oxomethyl]-(2-oxo-4-phenylmethoxycarbonyl-1-piperazinyl)-(4-piperidinylidene)ammonium IUPAC Name: (2-methylpropan-2-yl)oxycarbonyl-(2-oxo-4-phenylmethoxycarbonylpiperazin-1-yl)-piperidin-4-ylideneazanium Traditional Name: tert-butoxycarbonyl-(4-carbobenzoxy-2-keto-piperazino)-(4-piperidylidene)ammonium Formula: C22H31N4O5+ MolecularWeight: 431.50534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+](=C1CCNCC1)N2CCN(CC2=O)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)[N+](=C1CCNCC1)N2CCN(CC2=O)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H31N4O5/c1-22(2,3)31-21(29)26(18-9-11-23-12-10-18)25-14-13-24(15-19(25)27)20(28)30-16-17-7-5-4-6-8-17/h4-8,23H,9-16H2,1-3H3/q+1