1-(3-methoxypropyl)-2-methyl-3-[(4-nitrophenyl)methyl]benzo[f]benzimidazol-3-ium-4,9-dione iodide

Systemtic Name: 1-(3-methoxypropyl)-2-methyl-3-[(4-nitrophenyl)methyl]benzo[f]benzimidazol-3-ium-4,9-dione iodide Openeye Name: 1-(3-methoxypropyl)-2-methyl-3-[(4-nitrophenyl)methyl]benzo[f]benzimidazol-3-ium-4,9-dione iodide CAS Name: 1-(3-methoxypropyl)-2-methyl-3-[(4-nitrophenyl)methyl]benzo[f]benzimidazol-3-ium-4,9-dione iodide IUPAC Name: 1-(3-methoxypropyl)-2-methyl-3-[(4-nitrophenyl)methyl]benzo[f]benzimidazol-3-ium-4,9-dione iodide Traditional Name: 1-(3-methoxypropyl)-2-methyl-3-(4-nitrobenzyl)benzo[f]benzimidazol-3-ium-4,9-quinone iodide Formula: C23H22IN3O5 MolecularWeight: 547.34235

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(N1CCCOC)C(=O)C3=CC=CC=C3C2=O)CC4=CC=C(C=C4)[N+](=O)[O-].[I-]

Isomeric SMILES

CC1=[N+](C2=C(N1CCCOC)C(=O)C3=CC=CC=C3C2=O)CC4=CC=C(C=C4)[N+](=O)[O-].[I-]

InChI

InChI=1S/C23H22N3O5.HI/c1-15-24(12-5-13-31-2)20-21(23(28)19-7-4-3-6-18(19)22(20)27)25(15)14-16-8-10-17(11-9-16)26(29)30;/h3-4,6-11H,5,12-14H2,1-2H3;1H/q+1;/p-1