[2-(4-azanyl-1-ethyl-benzimidazol-1-ium-1-yl)phenoxy]methylphosphonic acid

Systemtic Name: [2-(4-azanyl-1-ethyl-benzimidazol-1-ium-1-yl)phenoxy]methylphosphonic acid Openeye Name: [2-(4-amino-1-ethyl-benzimidazol-1-ium-1-yl)phenoxy]methylphosphonic acid CAS Name: [2-(4-amino-1-ethyl-1-benzimidazol-1-iumyl)phenoxy]methylphosphonic acid IUPAC Name: [2-(4-amino-1-ethylbenzimidazol-1-ium-1-yl)phenoxy]methylphosphonic acid Traditional Name: [2-(4-amino-1-ethyl-benzimidazol-1-ium-1-yl)phenoxy]methylphosphonic acid Formula: C16H19N3O4P+ MolecularWeight: 348.313521

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C=NC2=C(C=CC=C21)N)C3=CC=CC=C3OCP(=O)(O)O

Isomeric SMILES

CC[N+]1(C=NC2=C(C=CC=C21)N)C3=CC=CC=C3OCP(=O)(O)O

InChI

InChI=1S/C16H18N3O4P/c1-2-19(10-18-16-12(17)6-5-8-14(16)19)13-7-3-4-9-15(13)23-11-24(20,21)22/h3-10H,2,11,17H2,1H3,(H-,20,21,22)/p+1