1-(9H-fluoren-2-ylmethyl)-4-(pyridin-4-ylmethyl)-1,4-diazepan-1-ium-5-one

Systemtic Name: 1-(9H-fluoren-2-ylmethyl)-4-(pyridin-4-ylmethyl)-1,4-diazepan-1-ium-5-one Openeye Name: 1-(9H-fluoren-2-ylmethyl)-4-(4-pyridylmethyl)-1,4-diazepan-1-ium-5-one CAS Name: 1-(9H-fluoren-2-ylmethyl)-4-(pyridin-4-ylmethyl)-1,4-diazepan-1-ium-5-one IUPAC Name: 1-(9H-fluoren-2-ylmethyl)-4-(pyridin-4-ylmethyl)-1,4-diazepan-1-ium-5-one Traditional Name: 1-(9H-fluoren-2-ylmethyl)-4-(4-pyridylmethyl)-1,4-diazepan-1-ium-5-one Formula: C25H26N3O+ MolecularWeight: 384.49344

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1=O)CC2=CC=NC=C2)CC3=CC4=C(C=C3)C5=CC=CC=C5C4

Isomeric SMILES

C1C[NH+](CCN(C1=O)CC2=CC=NC=C2)CC3=CC4=C(C=C3)C5=CC=CC=C5C4

InChI

InChI=1S/C25H25N3O/c29-25-9-12-27(13-14-28(25)18-19-7-10-26-11-8-19)17-20-5-6-24-22(15-20)16-21-3-1-2-4-23(21)24/h1-8,10-11,15H,9,12-14,16-18H2/p+1