4-[(2-fluorophenyl)methyl]-1-(1H-indol-2-ylmethyl)-1,4-diazepan-1-ium-5-one

Systemtic Name: 4-[(2-fluorophenyl)methyl]-1-(1H-indol-2-ylmethyl)-1,4-diazepan-1-ium-5-one Openeye Name: 4-[(2-fluorophenyl)methyl]-1-(1H-indol-2-ylmethyl)-1,4-diazepan-1-ium-5-one CAS Name: 4-[(2-fluorophenyl)methyl]-1-(1H-indol-2-ylmethyl)-1,4-diazepan-1-ium-5-one IUPAC Name: 4-[(2-fluorophenyl)methyl]-1-(1H-indol-2-ylmethyl)-1,4-diazepan-1-ium-5-one Traditional Name: 4-(2-fluorobenzyl)-1-(1H-indol-2-ylmethyl)-1,4-diazepan-1-ium-5-one Formula: C21H23FN3O+ MolecularWeight: 352.425223

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1=O)CC2=CC=CC=C2F)CC3=CC4=CC=CC=C4N3

Isomeric SMILES

C1C[NH+](CCN(C1=O)CC2=CC=CC=C2F)CC3=CC4=CC=CC=C4N3

InChI

InChI=1S/C21H22FN3O/c22-19-7-3-1-6-17(19)14-25-12-11-24(10-9-21(25)26)15-18-13-16-5-2-4-8-20(16)23-18/h1-8,13,23H,9-12,14-15H2/p+1