1-cyclohexyl-4-[(3-fluorophenyl)methyl]-1,4-diazepan-1-ium-5-one

Systemtic Name: 1-cyclohexyl-4-[(3-fluorophenyl)methyl]-1,4-diazepan-1-ium-5-one Openeye Name: 1-cyclohexyl-4-[(3-fluorophenyl)methyl]-1,4-diazepan-1-ium-5-one CAS Name: 1-cyclohexyl-4-[(3-fluorophenyl)methyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 1-cyclohexyl-4-[(3-fluorophenyl)methyl]-1,4-diazepan-1-ium-5-one Traditional Name: 1-cyclohexyl-4-(3-fluorobenzyl)-1,4-diazepan-1-ium-5-one Formula: C18H26FN2O+ MolecularWeight: 305.410243

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCC(=O)N(CC2)CC3=CC(=CC=C3)F

Isomeric SMILES

C1CCC(CC1)[NH+]2CCC(=O)N(CC2)CC3=CC(=CC=C3)F

InChI

InChI=1S/C18H25FN2O/c19-16-6-4-5-15(13-16)14-21-12-11-20(10-9-18(21)22)17-7-2-1-3-8-17/h4-6,13,17H,1-3,7-12,14H2/p+1