[2-(azepan-1-yl)-6-(4-fluorophenyl)pyrimidin-4-yl]methylazanium

Systemtic Name: [2-(azepan-1-yl)-6-(4-fluorophenyl)pyrimidin-4-yl]methylazanium Openeye Name: [2-(azepan-1-yl)-6-(4-fluorophenyl)pyrimidin-4-yl]methylammonium CAS Name: [2-(1-azepanyl)-6-(4-fluorophenyl)-4-pyrimidinyl]methylammonium IUPAC Name: [2-(azepan-1-yl)-6-(4-fluorophenyl)pyrimidin-4-yl]methylazanium Traditional Name: [2-(azepan-1-yl)-6-(4-fluorophenyl)pyrimidin-4-yl]methylammonium Formula: C17H22FN4+ MolecularWeight: 301.381783

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=CC(=N2)C[NH3+])C3=CC=C(C=C3)F

Isomeric SMILES

C1CCCN(CC1)C2=NC(=CC(=N2)C[NH3+])C3=CC=C(C=C3)F

InChI

InChI=1S/C17H21FN4/c18-14-7-5-13(6-8-14)16-11-15(12-19)20-17(21-16)22-9-3-1-2-4-10-22/h5-8,11H,1-4,9-10,12,19H2/p+1