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

Systemtic Name: N-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-1-[4-(pyrazol-1-ylmethyl)phenyl]methanamine Openeye Name: N-[(2-morpholinopyridin-1-ium-3-yl)methyl]-1-[4-(pyrazol-1-ylmethyl)phenyl]methanamine CAS Name: N-[[2-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-1-[4-(1-pyrazolylmethyl)phenyl]methanamine IUPAC Name: N-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-1-[4-(pyrazol-1-ylmethyl)phenyl]methanamine Traditional Name: (2-morpholinopyridin-1-ium-3-yl)methyl-[4-(pyrazol-1-ylmethyl)benzyl]amine Formula: C21H26N5O+ MolecularWeight: 364.46404

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=CC=[NH+]2)CNCC3=CC=C(C=C3)CN4C=CC=N4

Isomeric SMILES

C1COCCN1C2=C(C=CC=[NH+]2)CNCC3=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+1