[4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]-(5-methylpyrazin-2-yl)methanone

Systemtic Name: [4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]-(5-methylpyrazin-2-yl)methanone Openeye Name: [4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]-(5-methylpyrazin-2-yl)methanone CAS Name: [4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]-(5-methyl-2-pyrazinyl)methanone IUPAC Name: [4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]-(5-methylpyrazin-2-yl)methanone Traditional Name: [4-(4-fluorobenzyl)-1,4-diazepan-4-ium-1-yl]-(5-methylpyrazin-2-yl)methanone Formula: C18H22FN4O+ MolecularWeight: 329.391883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N=C1)C(=O)N2CCC[NH+](CC2)CC3=CC=C(C=C3)F

Isomeric SMILES

CC1=NC=C(N=C1)C(=O)N2CCC[NH+](CC2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C18H21FN4O/c1-14-11-21-17(12-20-14)18(24)23-8-2-7-22(9-10-23)13-15-3-5-16(19)6-4-15/h3-6,11-12H,2,7-10,13H2,1H3/p+1