(2-imidazol-1-ylpyridin-3-yl)methyl-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]azanium

Systemtic Name: (2-imidazol-1-ylpyridin-3-yl)methyl-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]azanium Openeye Name: (2-imidazol-1-yl-3-pyridyl)methyl-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]ammonium CAS Name: [2-(1-imidazolyl)-3-pyridinyl]methyl-[[4-methoxy-3-(1-pyrazolylmethyl)phenyl]methyl]ammonium IUPAC Name: (2-imidazol-1-ylpyridin-3-yl)methyl-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]azanium Traditional Name: (2-imidazol-1-yl-3-pyridyl)methyl-[4-methoxy-3-(pyrazol-1-ylmethyl)benzyl]ammonium Formula: C21H23N6O+ MolecularWeight: 375.44692

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH2+]CC2=C(N=CC=C2)N3C=CN=C3)CN4C=CC=N4

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH2+]CC2=C(N=CC=C2)N3C=CN=C3)CN4C=CC=N4

InChI

InChI=1S/C21H22N6O/c1-28-20-6-5-17(12-19(20)15-27-10-3-8-25-27)13-23-14-18-4-2-7-24-21(18)26-11-9-22-16-26/h2-12,16,23H,13-15H2,1H3/p+1