[2-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-(oxidanylidenemethylidene)-(1-oxidanylidene-3-phenyl-1-phenylmethoxy-propan-2-yl)azanium

Systemtic Name: [2-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-(oxidanylidenemethylidene)-(1-oxidanylidene-3-phenyl-1-phenylmethoxy-propan-2-yl)azanium Openeye Name: (1-benzyl-2-benzyloxy-2-oxo-ethyl)-(2-tert-butoxycarbonylpiperazin-1-yl)-(oxomethylene)ammonium CAS Name: [2-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazinyl]-(oxomethylidene)-(1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl)ammonium IUPAC Name: [2-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-(oxomethylidene)-(1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl)azanium Traditional Name: (2-benzoxy-1-benzyl-2-keto-ethyl)-(2-tert-butoxycarbonylpiperazino)-(ketomethylene)ammonium Formula: C26H32N3O5+ MolecularWeight: 466.54938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CNCCN1[N+](=C=O)C(CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)C1CNCCN1[N+](=C=O)C(CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H32N3O5/c1-26(2,3)34-25(32)23-17-27-14-15-28(23)29(19-30)22(16-20-10-6-4-7-11-20)24(31)33-18-21-12-8-5-9-13-21/h4-13,22-23,27H,14-18H2,1-3H3/q+1