N-[(Z)-anthracen-9-ylmethylideneamino]-1-[(4-nitrophenyl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-[(Z)-anthracen-9-ylmethylideneamino]-1-[(4-nitrophenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-[(Z)-9-anthrylmethyleneamino]-1-[(4-nitrophenyl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-[(Z)-9-anthracenylmethylideneamino]-1-[(4-nitrophenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[(Z)-anthracen-9-ylmethylideneamino]-1-[(4-nitrophenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-[(Z)-9-anthrylmethyleneamino]-1-(4-nitrobenzyl)piperidin-1-ium-4-carboxamide Formula: C28H27N4O3+ MolecularWeight: 467.53898

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NN=CC2=C3C=CC=CC3=CC4=CC=CC=C42)CC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1C[NH+](CCC1C(=O)N/N=C\C2=C3C=CC=CC3=CC4=CC=CC=C42)CC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C28H26N4O3/c33-28(21-13-15-31(16-14-21)19-20-9-11-24(12-10-20)32(34)35)30-29-18-27-25-7-3-1-5-22(25)17-23-6-2-4-8-26(23)27/h1-12,17-18,21H,13-16,19H2,(H,30,33)/p+1/b29-18-