4-(cyclohexylmethyl)-1-[(2-fluoranyl-5-methoxy-phenyl)methyl]-1,4-diazepan-1-ium-5-one

Systemtic Name: 4-(cyclohexylmethyl)-1-[(2-fluoranyl-5-methoxy-phenyl)methyl]-1,4-diazepan-1-ium-5-one Openeye Name: 4-(cyclohexylmethyl)-1-[(2-fluoro-5-methoxy-phenyl)methyl]-1,4-diazepan-1-ium-5-one CAS Name: 4-(cyclohexylmethyl)-1-[(2-fluoro-5-methoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 4-(cyclohexylmethyl)-1-[(2-fluoro-5-methoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one Traditional Name: 4-(cyclohexylmethyl)-1-(2-fluoro-5-methoxy-benzyl)-1,4-diazepan-1-ium-5-one Formula: C20H30FN2O2+ MolecularWeight: 349.462803

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)F)C[NH+]2CCC(=O)N(CC2)CC3CCCCC3

Isomeric SMILES

COC1=CC(=C(C=C1)F)C[NH+]2CCC(=O)N(CC2)CC3CCCCC3

InChI

InChI=1S/C20H29FN2O2/c1-25-18-7-8-19(21)17(13-18)15-22-10-9-20(24)23(12-11-22)14-16-5-3-2-4-6-16/h7-8,13,16H,2-6,9-12,14-15H2,1H3/p+1