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

Systemtic Name: N-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine Openeye Name: N-[(2-morpholinopyridin-1-ium-3-yl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine CAS Name: N-[[2-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-1-[4-(1-pyrazolyl)phenyl]methanamine IUPAC Name: N-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine Traditional Name: (2-morpholinopyridin-1-ium-3-yl)methyl-(4-pyrazol-1-ylbenzyl)amine Formula: C20H24N5O+ MolecularWeight: 350.43746

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=CC=[NH+]2)CNCC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

C1COCCN1C2=C(C=CC=[NH+]2)CNCC3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C20H23N5O/c1-3-18(20(22-8-1)24-11-13-26-14-12-24)16-21-15-17-4-6-19(7-5-17)25-10-2-9-23-25/h1-10,21H,11-16H2/p+1