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

Systemtic Name: 4-[(3-fluorophenyl)methyl]-1-(1-phenethylpiperidin-1-ium-4-yl)-1,4-diazepan-1-ium-5-one Openeye Name: 4-[(3-fluorophenyl)methyl]-1-(1-phenethylpiperidin-1-ium-4-yl)-1,4-diazepan-1-ium-5-one CAS Name: 4-[(3-fluorophenyl)methyl]-1-(1-phenethyl-4-piperidin-1-iumyl)-1,4-diazepan-1-ium-5-one IUPAC Name: 4-[(3-fluorophenyl)methyl]-1-(1-phenethylpiperidin-1-ium-4-yl)-1,4-diazepan-1-ium-5-one Traditional Name: 4-(3-fluorobenzyl)-1-(1-phenethylpiperidin-1-ium-4-yl)-1,4-diazepan-1-ium-5-one Formula: C25H34FN3O+2 MolecularWeight: 411.555363

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1[NH+]2CCC(=O)N(CC2)CC3=CC(=CC=C3)F)CCC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1[NH+]2CCC(=O)N(CC2)CC3=CC(=CC=C3)F)CCC4=CC=CC=C4

InChI

InChI=1S/C25H32FN3O/c26-23-8-4-7-22(19-23)20-29-18-17-28(16-12-25(29)30)24-10-14-27(15-11-24)13-9-21-5-2-1-3-6-21/h1-8,19,24H,9-18,20H2/p+2