4-methyl-1-[(4-phenylmethoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one

Systemtic Name: 4-methyl-1-[(4-phenylmethoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one Openeye Name: 1-[(4-benzyloxyphenyl)methyl]-4-methyl-1,4-diazepan-1-ium-5-one CAS Name: 4-methyl-1-[(4-phenylmethoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 4-methyl-1-[(4-phenylmethoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one Traditional Name: 1-(4-benzoxybenzyl)-4-methyl-1,4-diazepan-1-ium-5-one Formula: C20H25N2O2+ MolecularWeight: 325.4247

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CCC1=O)CC2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

CN1CC[NH+](CCC1=O)CC2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C20H24N2O2/c1-21-13-14-22(12-11-20(21)23)15-17-7-9-19(10-8-17)24-16-18-5-3-2-4-6-18/h2-10H,11-16H2,1H3/p+1