(phenylmethyl) 1-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methylcarbamoyl]piperazin-1-ium-1-carboxylate

Systemtic Name: (phenylmethyl) 1-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methylcarbamoyl]piperazin-1-ium-1-carboxylate Openeye Name: benzyl 1-[[4-[(tert-butoxycarbonylamino)methyl]phenyl]methylcarbamoyl]piperazin-1-ium-1-carboxylate CAS Name: 1-[[[4-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]phenyl]methylamino]-oxomethyl]-1-piperazin-1-iumcarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methylcarbamoyl]piperazin-1-ium-1-carboxylate Traditional Name: 1-[[4-[(tert-butoxycarbonylamino)methyl]benzyl]carbamoyl]piperazin-1-ium-1-carboxylic acid benzyl ester Formula: C26H35N4O5+ MolecularWeight: 483.5799

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)CNC(=O)[N+]2(CCNCC2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)CNC(=O)[N+]2(CCNCC2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H34N4O5/c1-26(2,3)35-24(32)29-18-21-11-9-20(10-12-21)17-28-23(31)30(15-13-27-14-16-30)25(33)34-19-22-7-5-4-6-8-22/h4-12,27H,13-19H2,1-3H3,(H-,28,29,31,32)/p+1