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

Systemtic Name: (2-morpholin-4-ylpyridin-1-ium-3-yl)methyl-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]azanium Openeye Name: (2-morpholinopyridin-1-ium-3-yl)methyl-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]ammonium CAS Name: [2-(4-morpholinyl)-3-pyridin-1-iumyl]methyl-[[4-(1-pyrazolylmethyl)phenyl]methyl]ammonium IUPAC Name: (2-morpholin-4-ylpyridin-1-ium-3-yl)methyl-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]azanium Traditional Name: (2-morpholinopyridin-1-ium-3-yl)methyl-[4-(pyrazol-1-ylmethyl)benzyl]ammonium Formula: C21H27N5O+2 MolecularWeight: 365.47198

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=CC=[NH+]2)C[NH2+]CC3=CC=C(C=C3)CN4C=CC=N4

Isomeric SMILES

C1COCCN1C2=C(C=CC=[NH+]2)C[NH2+]CC3=CC=C(C=C3)CN4C=CC=N4

InChI

InChI=1S/C21H25N5O/c1-3-20(21(23-8-1)25-11-13-27-14-12-25)16-22-15-18-4-6-19(7-5-18)17-26-10-2-9-24-26/h1-10,22H,11-17H2/p+2