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

Systemtic Name: 1-cyclohexyl-4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-ium-5-one Openeye Name: 1-cyclohexyl-4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-ium-5-one CAS Name: 1-cyclohexyl-4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 1-cyclohexyl-4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-ium-5-one Traditional Name: 1-cyclohexyl-4-(4-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=C(C=C3)F

Isomeric SMILES

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

InChI

InChI=1S/C18H25FN2O/c19-16-8-6-15(7-9-16)14-21-13-12-20(11-10-18(21)22)17-4-2-1-3-5-17/h6-9,17H,1-5,10-14H2/p+1