1-[2-(4-methoxyphenoxy)ethyl]-3-[(4-nitrophenyl)methyl]benzimidazol-3-ium-2-amine

Systemtic Name: 1-[2-(4-methoxyphenoxy)ethyl]-3-[(4-nitrophenyl)methyl]benzimidazol-3-ium-2-amine Openeye Name: 1-[2-(4-methoxyphenoxy)ethyl]-3-[(4-nitrophenyl)methyl]benzimidazol-3-ium-2-amine CAS Name: 1-[2-(4-methoxyphenoxy)ethyl]-3-[(4-nitrophenyl)methyl]-2-benzimidazol-3-iumamine IUPAC Name: 1-[2-(4-methoxyphenoxy)ethyl]-3-[(4-nitrophenyl)methyl]benzimidazol-3-ium-2-amine Traditional Name: [1-[2-(4-methoxyphenoxy)ethyl]-3-(4-nitrobenzyl)benzimidazol-3-ium-2-yl]amine Formula: C23H23N4O4+ MolecularWeight: 419.45312

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCCN2C3=CC=CC=C3[N+](=C2N)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)OCCN2C3=CC=CC=C3[N+](=C2N)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H22N4O4/c1-30-19-10-12-20(13-11-19)31-15-14-25-21-4-2-3-5-22(21)26(23(25)24)16-17-6-8-18(9-7-17)27(28)29/h2-13,24H,14-16H2,1H3/p+1