5-nitro-1,3-diphenethyl-benzimidazol-1-ium

Systemtic Name: 5-nitro-1,3-diphenethyl-benzimidazol-1-ium Openeye Name: 5-nitro-1,3-diphenethyl-benzimidazol-1-ium CAS Name: 5-nitro-1,3-diphenethylbenzimidazol-1-ium IUPAC Name: 5-nitro-1,3-diphenethylbenzimidazol-1-ium Traditional Name: 5-nitro-1,3-diphenethyl-benzimidazol-1-ium Formula: C23H22N3O2+ MolecularWeight: 372.43968

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C=[N+](C3=C2C=C(C=C3)[N+](=O)[O-])CCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCN2C=[N+](C3=C2C=C(C=C3)[N+](=O)[O-])CCC4=CC=CC=C4

InChI

InChI=1S/C23H22N3O2/c27-26(28)21-11-12-22-23(17-21)25(16-14-20-9-5-2-6-10-20)18-24(22)15-13-19-7-3-1-4-8-19/h1-12,17-18H,13-16H2/q+1