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

Systemtic Name: (4-morpholin-4-yl-3,5-dinitro-phenyl)-[2-(phenylmethyl)-3H-benzimidazol-1-ium-1-yl]methanone Openeye Name: (2-benzyl-3H-benzimidazol-1-ium-1-yl)-(4-morpholino-3,5-dinitro-phenyl)methanone CAS Name: [4-(4-morpholinyl)-3,5-dinitrophenyl]-[2-(phenylmethyl)-3H-benzimidazol-1-ium-1-yl]methanone IUPAC Name: (2-benzyl-3H-benzimidazol-1-ium-1-yl)-(4-morpholin-4-yl-3,5-dinitrophenyl)methanone Traditional Name: (2-benzyl-3H-benzimidazol-1-ium-1-yl)-(4-morpholino-3,5-dinitro-phenyl)methanone Formula: C25H22N5O6+ MolecularWeight: 488.47208

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=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

C1COCCN1C2=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/C25H21N5O6/c31-25(28-20-9-5-4-8-19(20)26-23(28)14-17-6-2-1-3-7-17)18-15-21(29(32)33)24(22(16-18)30(34)35)27-10-12-36-13-11-27/h1-9,15-16H,10-14H2/p+1