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

Systemtic Name: 4-[(4-fluorophenyl)methyl]-1-(1-phenethylpiperidin-1-ium-4-yl)-1,4-diazepan-5-one Openeye Name: 4-[(4-fluorophenyl)methyl]-1-(1-phenethylpiperidin-1-ium-4-yl)-1,4-diazepan-5-one CAS Name: 4-[(4-fluorophenyl)methyl]-1-(1-phenethyl-4-piperidin-1-iumyl)-1,4-diazepan-5-one IUPAC Name: 4-[(4-fluorophenyl)methyl]-1-(1-phenethylpiperidin-1-ium-4-yl)-1,4-diazepan-5-one Traditional Name: 4-(4-fluorobenzyl)-1-(1-phenethylpiperidin-1-ium-4-yl)-1,4-diazepan-5-one Formula: C25H33FN3O+ MolecularWeight: 410.547423

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2CCC(=O)N(CC2)CC3=CC=C(C=C3)F)CCC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1N2CCC(=O)N(CC2)CC3=CC=C(C=C3)F)CCC4=CC=CC=C4

InChI

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