1-(2,2-diphenylethyl)-4-(pyridin-4-ylmethyl)-1,4-diazepan-1-ium-5-one

Systemtic Name: 1-(2,2-diphenylethyl)-4-(pyridin-4-ylmethyl)-1,4-diazepan-1-ium-5-one Openeye Name: 1-(2,2-diphenylethyl)-4-(4-pyridylmethyl)-1,4-diazepan-1-ium-5-one CAS Name: 1-(2,2-diphenylethyl)-4-(pyridin-4-ylmethyl)-1,4-diazepan-1-ium-5-one IUPAC Name: 1-(2,2-diphenylethyl)-4-(pyridin-4-ylmethyl)-1,4-diazepan-1-ium-5-one Traditional Name: 1-(2,2-diphenylethyl)-4-(4-pyridylmethyl)-1,4-diazepan-1-ium-5-one Formula: C25H28N3O+ MolecularWeight: 386.50932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1=O)CC2=CC=NC=C2)CC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCN(C1=O)CC2=CC=NC=C2)CC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H27N3O/c29-25-13-16-27(17-18-28(25)19-21-11-14-26-15-12-21)20-24(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-12,14-15,24H,13,16-20H2/p+1