1-(5-chloranyl-6-methyl-2-pyridin-3-yl-pyrimidin-4-yl)-4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium

Systemtic Name: 1-(5-chloranyl-6-methyl-2-pyridin-3-yl-pyrimidin-4-yl)-4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium Openeye Name: 1-[5-chloro-6-methyl-2-(3-pyridyl)pyrimidin-4-yl]-4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium CAS Name: 1-[5-chloro-6-methyl-2-(3-pyridinyl)-4-pyrimidinyl]-4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium IUPAC Name: 1-(5-chloro-6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium Traditional Name: 1-[5-chloro-6-methyl-2-(3-pyridyl)pyrimidin-4-yl]-4-(4-fluorobenzyl)-1,4-diazepan-4-ium Formula: C22H24ClFN5+ MolecularWeight: 412.910863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CN=CC=C2)N3CCC[NH+](CC3)CC4=CC=C(C=C4)F)Cl

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CN=CC=C2)N3CCC[NH+](CC3)CC4=CC=C(C=C4)F)Cl

InChI

InChI=1S/C22H23ClFN5/c1-16-20(23)22(27-21(26-16)18-4-2-9-25-14-18)29-11-3-10-28(12-13-29)15-17-5-7-19(24)8-6-17/h2,4-9,14H,3,10-13,15H2,1H3/p+1