tert-butyl 5-oxidanidyl-2-[(2-oxidanylidene-4-phenylmethoxycarbonyl-piperazin-1-yl)methyl]pyrrolo[3,2-c]pyridin-5-ium-1-carboxylate

Systemtic Name: tert-butyl 5-oxidanidyl-2-[(2-oxidanylidene-4-phenylmethoxycarbonyl-piperazin-1-yl)methyl]pyrrolo[3,2-c]pyridin-5-ium-1-carboxylate Openeye Name: tert-butyl 2-[(4-benzyloxycarbonyl-2-oxo-piperazin-1-yl)methyl]-5-oxido-pyrrolo[3,2-c]pyridin-5-ium-1-carboxylate CAS Name: 5-oxido-2-[(2-oxo-4-phenylmethoxycarbonyl-1-piperazinyl)methyl]-1-pyrrolo[3,2-c]pyridin-5-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-oxido-2-[(2-oxo-4-phenylmethoxycarbonylpiperazin-1-yl)methyl]pyrrolo[3,2-c]pyridin-5-ium-1-carboxylate Traditional Name: 2-[(4-carbobenzoxy-2-keto-piperazino)methyl]-5-oxido-pyrrolo[3,2-c]pyridin-5-ium-1-carboxylic acid tert-butyl ester Formula: C25H28N4O6 MolecularWeight: 480.51302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=C(C=C1CN3CCN(CC3=O)C(=O)OCC4=CC=CC=C4)C=[N+](C=C2)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=C(C=C1CN3CCN(CC3=O)C(=O)OCC4=CC=CC=C4)C=[N+](C=C2)[O-]

InChI

InChI=1S/C25H28N4O6/c1-25(2,3)35-24(32)29-20(13-19-14-28(33)10-9-21(19)29)15-26-11-12-27(16-22(26)30)23(31)34-17-18-7-5-4-6-8-18/h4-10,13-14H,11-12,15-17H2,1-3H3