1-[4-[1-(4-fluorophenyl)pyrazol-4-yl]pyrimidin-2-yl]-4-methyl-1,4-diazepan-4-ium

Systemtic Name: 1-[4-[1-(4-fluorophenyl)pyrazol-4-yl]pyrimidin-2-yl]-4-methyl-1,4-diazepan-4-ium Openeye Name: 1-[4-[1-(4-fluorophenyl)pyrazol-4-yl]pyrimidin-2-yl]-4-methyl-1,4-diazepan-4-ium CAS Name: 1-[4-[1-(4-fluorophenyl)-4-pyrazolyl]-2-pyrimidinyl]-4-methyl-1,4-diazepan-4-ium IUPAC Name: 1-[4-[1-(4-fluorophenyl)pyrazol-4-yl]pyrimidin-2-yl]-4-methyl-1,4-diazepan-4-ium Traditional Name: 1-[4-[1-(4-fluorophenyl)pyrazol-4-yl]pyrimidin-2-yl]-4-methyl-1,4-diazepan-4-ium Formula: C19H22FN6+ MolecularWeight: 353.416583

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C2=NC=CC(=N2)C3=CN(N=C3)C4=CC=C(C=C4)F

Isomeric SMILES

C[NH+]1CCCN(CC1)C2=NC=CC(=N2)C3=CN(N=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C19H21FN6/c1-24-9-2-10-25(12-11-24)19-21-8-7-18(23-19)15-13-22-26(14-15)17-5-3-16(20)4-6-17/h3-8,13-14H,2,9-12H2,1H3/p+1