5-[[1-[(4-nitrophenyl)methyl]-1-oxidanidyl-piperidin-1-ium-4-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[1-[(4-nitrophenyl)methyl]-1-oxidanidyl-piperidin-1-ium-4-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[[1-[(4-nitrophenyl)methyl]-1-oxido-piperidin-1-ium-4-yl]amino]-5-oxo-pentanoic acid CAS Name: 5-[[1-[(4-nitrophenyl)methyl]-1-oxido-4-piperidin-1-iumyl]amino]-5-oxopentanoic acid IUPAC Name: 5-[[1-[(4-nitrophenyl)methyl]-1-oxidopiperidin-1-ium-4-yl]amino]-5-oxopentanoic acid Traditional Name: 5-keto-5-[[1-(4-nitrobenzyl)-1-oxido-piperidin-1-ium-4-yl]amino]valeric acid Formula: C17H23N3O6 MolecularWeight: 365.38102

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCC1NC(=O)CCCC(=O)O)(CC2=CC=C(C=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

C1C[N+](CCC1NC(=O)CCCC(=O)O)(CC2=CC=C(C=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C17H23N3O6/c21-16(2-1-3-17(22)23)18-14-8-10-20(26,11-9-14)12-13-4-6-15(7-5-13)19(24)25/h4-7,14H,1-3,8-12H2,(H,18,21)(H,22,23)