(2-azanyl-6-methyl-pyrimidin-4-yl)-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]methanone

Systemtic Name: (2-azanyl-6-methyl-pyrimidin-4-yl)-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]methanone Openeye Name: (2-amino-6-methyl-pyrimidin-4-yl)-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]methanone CAS Name: (2-amino-6-methyl-4-pyrimidinyl)-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]methanone IUPAC Name: (2-amino-6-methylpyrimidin-4-yl)-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]methanone Traditional Name: (2-amino-6-methyl-pyrimidin-4-yl)-[4-(2-fluorobenzyl)-1,4-diazepan-4-ium-1-yl]methanone Formula: C18H23FN5O+ MolecularWeight: 344.406523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C(=O)N2CCC[NH+](CC2)CC3=CC=CC=C3F)N

Isomeric SMILES

CC1=NC(=NC(=C1)C(=O)N2CCC[NH+](CC2)CC3=CC=CC=C3F)N

InChI

InChI=1S/C18H22FN5O/c1-13-11-16(22-18(20)21-13)17(25)24-8-4-7-23(9-10-24)12-14-5-2-3-6-15(14)19/h2-3,5-6,11H,4,7-10,12H2,1H3,(H2,20,21,22)/p+1