3-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]chromen-4-one

Systemtic Name: 3-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]chromen-4-one Openeye Name: 3-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]chromen-4-one CAS Name: 3-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]-1-benzopyran-4-one IUPAC Name: 3-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]chromen-4-one Traditional Name: 3-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]chromone Formula: C16H21N2O2+ MolecularWeight: 273.35014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCC[NH+](CC1)CC2=COC3=CC=CC=C3C2=O

Isomeric SMILES

CN1CCC[NH+](CC1)CC2=COC3=CC=CC=C3C2=O

InChI

InChI=1S/C16H20N2O2/c1-17-7-4-8-18(10-9-17)11-13-12-20-15-6-3-2-5-14(15)16(13)19/h2-3,5-6,12H,4,7-11H2,1H3/p+1