2-chloranyl-5-[1-ethyl-2-(1H-imidazol-2-ylmethylamino)-1-methyl-5-pyridin-4-yl-imidazol-1-ium-4-yl]phenol

Systemtic Name: 2-chloranyl-5-[1-ethyl-2-(1H-imidazol-2-ylmethylamino)-1-methyl-5-pyridin-4-yl-imidazol-1-ium-4-yl]phenol Openeye Name: 2-chloro-5-[1-ethyl-2-(1H-imidazol-2-ylmethylamino)-1-methyl-5-(4-pyridyl)imidazol-1-ium-4-yl]phenol CAS Name: 2-chloro-5-[1-ethyl-2-(1H-imidazol-2-ylmethylamino)-1-methyl-5-pyridin-4-yl-4-imidazol-1-iumyl]phenol IUPAC Name: 2-chloro-5-[1-ethyl-2-(1H-imidazol-2-ylmethylamino)-1-methyl-5-pyridin-4-ylimidazol-1-ium-4-yl]phenol Traditional Name: 2-chloro-5-[1-ethyl-2-(1H-imidazol-2-ylmethylamino)-1-methyl-5-(4-pyridyl)imidazol-1-ium-4-yl]phenol Formula: C21H22ClN6O+ MolecularWeight: 409.89198

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C(=C(N=C1NCC2=NC=CN2)C3=CC(=C(C=C3)Cl)O)C4=CC=NC=C4)C

Isomeric SMILES

CC[N+]1(C(=C(N=C1NCC2=NC=CN2)C3=CC(=C(C=C3)Cl)O)C4=CC=NC=C4)C

InChI

InChI=1S/C21H21ClN6O/c1-3-28(2)20(14-6-8-23-9-7-14)19(15-4-5-16(22)17(29)12-15)27-21(28)26-13-18-24-10-11-25-18/h4-12H,3,13H2,1-2H3,(H2-,23,24,25,26,27,29)/p+1