N-[(E)-1-(4-nitrophenyl)ethylideneamino]-1-[(4-nitrophenyl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-[(E)-1-(4-nitrophenyl)ethylideneamino]-1-[(4-nitrophenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-[(E)-1-(4-nitrophenyl)ethylideneamino]-1-[(4-nitrophenyl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-[(E)-1-(4-nitrophenyl)ethylideneamino]-1-[(4-nitrophenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[(E)-1-(4-nitrophenyl)ethylideneamino]-1-[(4-nitrophenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(4-nitrobenzyl)-N-[(E)-1-(4-nitrophenyl)ethylideneamino]piperidin-1-ium-4-carboxamide Formula: C21H24N5O5+ MolecularWeight: 426.44576

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1CC[NH+](CC1)CC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C/C(=N\NC(=O)C1CC[NH+](CC1)CC2=CC=C(C=C2)[N+](=O)[O-])/C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O5/c1-15(17-4-8-20(9-5-17)26(30)31)22-23-21(27)18-10-12-24(13-11-18)14-16-2-6-19(7-3-16)25(28)29/h2-9,18H,10-14H2,1H3,(H,23,27)/p+1/b22-15+