(3,5-dinitro-4-piperidin-1-yl-phenyl)-[2-(phenylmethyl)-3H-benzimidazol-1-ium-1-yl]methanone

Systemtic Name: (3,5-dinitro-4-piperidin-1-yl-phenyl)-[2-(phenylmethyl)-3H-benzimidazol-1-ium-1-yl]methanone Openeye Name: (2-benzyl-3H-benzimidazol-1-ium-1-yl)-[3,5-dinitro-4-(1-piperidyl)phenyl]methanone CAS Name: [3,5-dinitro-4-(1-piperidinyl)phenyl]-[2-(phenylmethyl)-3H-benzimidazol-1-ium-1-yl]methanone IUPAC Name: (2-benzyl-3H-benzimidazol-1-ium-1-yl)-(3,5-dinitro-4-piperidin-1-ylphenyl)methanone Traditional Name: (2-benzyl-3H-benzimidazol-1-ium-1-yl)-(3,5-dinitro-4-piperidino-phenyl)methanone Formula: C26H24N5O5+ MolecularWeight: 486.49926

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2[N+](=O)[O-])C(=O)[N+]3=C(NC4=CC=CC=C43)CC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2[N+](=O)[O-])C(=O)[N+]3=C(NC4=CC=CC=C43)CC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C26H23N5O5/c32-26(29-21-12-6-5-11-20(21)27-24(29)15-18-9-3-1-4-10-18)19-16-22(30(33)34)25(23(17-19)31(35)36)28-13-7-2-8-14-28/h1,3-6,9-12,16-17H,2,7-8,13-15H2/p+1